data_2meo_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 2meo _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.05 -35.78 73.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.565 0.746 . . . . 0.0 111.745 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.81 -22.13 66.54 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.41 31.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.661 1.184 . . . . 0.0 113.259 170.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.69 -46.69 12.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.232 1.013 . . . . 0.0 111.273 172.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.08 -39.45 66.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.523 1.529 . . . . 0.0 112.675 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.51 -4.7 12.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.8 p -103.0 1.43 33.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.98 1.712 . . . . 0.0 114.16 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.03 -45.08 0.85 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.653 1.581 . . . . 0.0 112.868 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -60.83 -31.5 70.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.642 1.577 . . . . 0.0 114.324 -167.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 m -80.54 -5.28 56.5 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.68 -2.54 38.06 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.132 1.773 . . . . 0.0 112.599 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.17 22.95 62.11 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 118.763 -1.021 . . . . 0.0 115.014 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.63 171.05 15.02 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.141 1.471 . . . . 0.0 113.27 168.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 tp -90.18 136.65 32.92 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.423 1.889 . . . . 0.0 111.402 -174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 133.42 26.25 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.637 0.637 . . . . 0.0 113.586 166.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -123.79 133.37 53.83 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.229 1.812 . . . . 0.0 111.543 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.67 129.36 36.72 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.423 1.106 . . . . 0.0 113.223 168.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.7 mt -137.27 127.84 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.082 1.753 . . . . 0.0 107.921 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.67 37.92 95.04 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.956 0.789 . . . . 0.0 113.945 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.259 4.5 mp0 56.18 21.96 5.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.626 2.371 . . . . 0.0 115.484 -170.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.22 108.34 19.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.952 1.301 . . . . 0.0 110.283 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -89.24 125.9 35.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.666 1.186 . . . . 0.0 112.493 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -138.03 -179.55 5.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 129.221 3.009 . . . . 0.0 109.483 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 m -114.56 158.29 21.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.002 -1.061 . . . . 0.0 111.393 165.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.482 1.135 0 C-N-CA 123.702 0.801 . . . . 0.0 112.813 -179.568 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 120.58 0.229 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.57 -36.44 83.82 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.781 -0.574 . . . . 0.0 112.049 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.65 -17.6 63.51 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.496 1.118 . . . . 0.0 113.283 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.77 -3.61 57.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.035 0.934 . . . . 0.0 112.644 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.7 t -123.38 -57.4 1.67 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.57 -40.71 88.25 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.699 -1.251 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.33 -10.8 57.45 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.38 -25.23 23.94 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.216 1.371 . . . . 0.0 113.125 166.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.75 -40.54 7.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.485 1.114 . . . . 0.0 113.503 -169.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -62.61 -33.41 74.94 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -165.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -71.09 -2.07 14.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 173.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -98.14 -8.92 26.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.268 1.427 . . . . 0.0 112.628 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.87 71.64 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.299 -1.279 . . . . 0.0 115.621 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.62 168.09 11.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.833 1.817 . . . . 0.0 113.05 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -92.68 143.94 25.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.609 1.164 . . . . 0.0 111.256 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.49 117.52 5.46 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 125.017 1.294 . . . . 0.0 112.402 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -138.69 174.53 10.43 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.02 1.728 . . . . 0.0 112.274 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -160.29 154.39 23.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.199 1.4 . . . . 0.0 112.543 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mm -126.95 -37.96 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.626 1.57 . . . . 0.0 112.498 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 30.35 10.3 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.775 1.655 . . . . 0.0 111.802 172.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 52.81 35.78 19.69 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -124.59 128.17 48.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.977 1.311 . . . . 0.0 109.192 166.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.09 116.11 17.45 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.337 -0.852 . . . . 0.0 112.188 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -136.23 119.63 16.88 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.45 1.9 . . . . 0.0 109.832 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 m -75.08 151.12 38.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -171.443 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.391 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.22 -27.54 65.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 113.038 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.53 65.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.931 1.293 . . . . 0.0 114.335 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.41 -26.47 14.84 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.705 1.202 . . . . 0.0 112.118 170.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -71.31 -50.69 29.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.195 0.998 . . . . 0.0 113.253 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.93 -40.16 87.53 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.108 0.867 . . . . 0.0 112.047 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.25 -11.49 50.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -95.1 -6.13 42.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.215 1.406 . . . . 0.0 113.28 170.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.6 m -115.7 -46.91 2.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.876 1.67 . . . . 0.0 112.647 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -65.14 -23.77 67.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.372 -1.455 . . . . 0.0 114.504 -169.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -60.55 -30.27 69.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.782 0.833 . . . . 0.0 112.84 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.73 -6.27 57.54 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.443 1.897 . . . . 0.0 112.832 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.51 20.27 74.78 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.569 -1.128 . . . . 0.0 115.085 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.81 171.06 9.17 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.244 1.522 . . . . 0.0 113.268 169.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 tp -89.19 133.93 34.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.56 2.344 . . . . 0.0 110.55 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.4 121.3 5.37 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.376 0.988 . . . . 0.0 111.974 165.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -119.19 132.05 55.91 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.088 0.955 . . . . 0.0 113.498 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.5 m -84.19 132.8 34.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 112.621 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -137.25 126.14 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.757 2.023 . . . . 0.0 108.709 171.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.72 33.11 66.7 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.648 -0.657 . . . . 0.0 113.456 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.26 30.3 mt-10 62.89 6.69 2.27 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.864 2.065 . . . . 0.0 116.294 -175.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -91.47 165.9 13.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.798 1.639 . . . . 0.0 109.77 156.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -139.21 137.97 36.46 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.636 -1.29 . . . . 0.0 113.485 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -149.68 147.44 28.08 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.482 2.313 . . . . 0.0 109.205 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -73.11 166.04 23.87 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.743 1.61 . . . . 0.0 112.66 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.822 1.249 . . . . 0.0 112.844 176.587 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 tp -149.62 -22.54 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -171.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.93 79.76 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -164.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.52 -7.08 42.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.605 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.36 -52.65 44.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.24 1.416 . . . . 0.0 109.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.12 -45.43 61.58 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.857 0.863 . . . . 0.0 112.42 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.99 -26.62 68.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.102 0.961 . . . . 0.0 112.623 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 m -93.03 -30.62 15.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.325 1.85 . . . . 0.0 112.596 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -63.88 -24.39 67.72 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.111 -0.993 . . . . 0.0 112.325 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -46.24 72.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.198 1.399 . . . . 0.0 113.084 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -76.74 -2.11 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.76 -20.32 20.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.761 1.225 . . . . 0.0 112.32 163.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.66 77.58 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.0 1.286 . . . . 0.0 114.005 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.44 157.66 16.88 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.627 1.171 . . . . 0.0 110.228 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.92 145.81 35.92 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 107.397 161.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.1 116.16 4.7 Favored Glycine 0 N--CA 1.467 0.755 0 O-C-N 120.595 -1.316 . . . . 0.0 111.893 168.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -140.29 119.27 12.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.871 0.869 . . . . 0.0 110.225 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 p -77.75 149.07 34.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.655 1.582 . . . . 0.0 113.679 -168.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.9 mm -135.53 131.32 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.042 1.737 . . . . 0.0 109.498 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.23 28.79 67.37 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.824 -0.547 . . . . 0.0 113.196 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.273 17.3 mt-10 58.2 13.11 2.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.817 2.847 . . . . 0.0 115.814 -169.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.82 158.02 16.43 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.383 2.273 . . . . 0.0 111.509 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -63.38 122.62 16.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.09 0.956 . . . . 0.0 111.683 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -148.77 166.82 27.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.669 2.787 . . . . 0.0 110.09 171.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.5 m -131.37 160.79 34.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.558 1.143 . . . . 0.0 111.482 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 127.501 2.32 . . . . 0.0 112.161 -170.018 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.9 tp -79.07 -34.04 44.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.12 0.418 . . . . 0.0 112.091 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.09 95.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.536 -0.727 . . . . 0.0 111.391 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.4 38.16 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.741 -1.224 . . . . 0.0 113.96 173.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.59 -40.2 11.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.498 1.519 . . . . 0.0 110.996 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.5 -42.0 81.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.538 -1.351 . . . . 0.0 111.187 164.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.05 -16.35 51.31 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.659 -1.276 . . . . 0.0 113.636 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -97.65 -27.15 14.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 113.781 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.5 m -108.74 -42.93 4.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 114.654 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.69 -31.33 70.59 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.358 1.463 . . . . 0.0 114.263 -165.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -61.78 -19.84 62.94 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 114.233 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.6 -5.93 55.27 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.834 1.654 . . . . 0.0 112.757 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.52 10.65 83.11 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.541 -1.144 . . . . 0.0 115.266 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.97 170.47 8.32 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.102 1.451 . . . . 0.0 112.732 170.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.0 tp -87.13 134.95 33.46 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.234 1.814 . . . . 0.0 110.554 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.23 132.97 13.28 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.135 0.398 . . . . 0.0 112.563 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -134.36 148.97 50.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.553 1.541 . . . . 0.0 109.101 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.36 118.95 27.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.751 1.159 . . . . 0.0 112.911 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -137.17 131.76 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.557 1.543 . . . . 0.0 109.445 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 33.46 85.82 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 121.801 -0.562 . . . . 0.0 112.448 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.66 14.86 8.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.825 2.05 . . . . 0.0 115.597 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.25 136.48 53.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.922 1.289 . . . . 0.0 112.754 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.85 121.4 17.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 110.671 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -139.83 105.68 5.17 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.388 2.675 . . . . 0.0 108.607 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 m -68.75 156.22 38.71 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.149 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.476 0.851 0 O-C-N 121.191 -0.943 . . . . 0.0 111.663 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -70.21 -33.57 71.85 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.436 0.694 . . . . 0.0 111.824 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.95 83.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.74 0.816 . . . . 0.0 112.627 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.73 62.53 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.314 1.046 . . . . 0.0 113.48 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -94.21 -42.19 9.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.184 1.394 . . . . 0.0 112.342 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -40.61 58.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.703 1.601 . . . . 0.0 113.763 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -12.17 55.08 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 p -90.33 -7.81 52.37 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.007 1.323 . . . . 0.0 113.384 171.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.05 -34.31 5.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.211 1.805 . . . . 0.0 112.51 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.6 -27.05 68.93 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.762 1.225 . . . . 0.0 114.187 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 p -69.63 -14.05 62.62 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.877 1.671 . . . . 0.0 114.032 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.76 0.78 22.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.982 1.713 . . . . 0.0 112.944 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.85 -17.83 53.36 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.76 1.647 . . . . 0.0 115.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 176.0 5.3 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.073 1.436 . . . . 0.0 113.518 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 mt -91.86 155.43 18.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.389 1.476 . . . . 0.0 111.59 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 148.73 49.54 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.992 -0.442 . . . . 0.0 113.363 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.17 130.05 38.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.068 1.747 . . . . 0.0 109.751 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -159.51 121.48 3.37 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -136.22 135.14 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 127.332 2.253 . . . . 0.0 108.113 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.43 34.01 73.44 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 113.752 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 58.11 5.46 0.4 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.563 2.345 . . . . 0.0 116.668 -171.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -89.52 108.42 19.65 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.825 -1.172 . . . . 0.0 112.403 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.02 122.61 29.02 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.44 1.114 . . . . 0.0 113.326 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -135.11 179.29 6.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.891 3.276 . . . . 0.0 109.388 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 m -120.65 160.15 23.86 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.042 -1.037 . . . . 0.0 111.206 167.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.476 0.859 0 O-C-N 121.577 -0.702 . . . . 0.0 112.172 -178.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.4 tp -114.68 -49.48 2.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.684 1.193 . . . . 0.0 113.131 -168.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.28 66.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.496 0.719 . . . . 0.0 112.634 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.93 61.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.541 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -84.33 -44.38 13.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.331 1.053 . . . . 0.0 110.216 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.9 -23.55 67.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.727 -1.233 . . . . 0.0 112.736 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.88 -2.28 56.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.511 1.524 . . . . 0.0 114.185 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -133.92 22.93 3.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.326 1.051 . . . . 0.0 113.584 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -130.65 -32.97 1.66 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -72.93 -24.11 60.78 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.981 1.719 . . . . 0.0 112.927 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -54.54 -33.05 59.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.587 1.155 . . . . 0.0 112.551 162.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.74 -9.58 34.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.089 2.155 . . . . 0.0 113.258 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.7 61.4 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.528 2.013 . . . . 0.0 116.409 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.69 157.82 18.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.942 1.871 . . . . 0.0 112.718 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.62 128.73 33.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.786 1.234 . . . . 0.0 110.193 164.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 114.69 6.88 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.331 0.967 . . . . 0.0 113.725 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -150.46 164.04 36.9 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.497 2.319 . . . . 0.0 111.647 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.3 177.95 4.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.75 1.62 . . . . 0.0 112.053 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -94.1 -46.6 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.107 -0.996 . . . . 0.0 110.247 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.91 11.53 0.06 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.457 1.503 . . . . 0.0 114.468 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.33 -58.13 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.689 1.596 . . . . 0.0 111.358 -160.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.12 166.23 32.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.17 110.56 1.65 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.916 1.686 . . . . 0.0 111.716 -171.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -147.54 81.19 1.51 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.442 3.097 . . . . 0.0 106.728 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.94 170.46 10.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.686 1.594 . . . . 0.0 114.344 -162.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -149.682 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.4 t30 . . . . . 0 C--O 1.237 0.416 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.61 -39.4 76.78 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.465 1.106 . . . . 0.0 112.182 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.24 13.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.129 1.772 . . . . 0.0 114.925 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.81 -10.48 14.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.288 1.435 . . . . 0.0 113.438 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.39 -40.82 12.48 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.203 1.401 . . . . 0.0 111.837 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.56 -44.21 72.71 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.103 -0.998 . . . . 0.0 110.354 164.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.33 -2.33 13.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.594 1.157 . . . . 0.0 113.974 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -113.18 -0.76 14.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.527 1.931 . . . . 0.0 113.631 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.59 -48.35 1.93 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 111.297 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -72.19 -14.57 61.84 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.717 -1.239 . . . . 0.0 114.016 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.2 p -65.84 -22.6 66.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.505 1.522 . . . . 0.0 113.437 165.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.8 -18.34 23.01 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.418 1.487 . . . . 0.0 112.717 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 0.75 32.67 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.413 1.959 . . . . 0.0 115.934 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.17 161.12 18.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.465 1.632 . . . . 0.0 113.292 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.41 135.29 36.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.134 1.374 . . . . 0.0 110.779 -173.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.39 131.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.663 0.649 . . . . 0.0 113.764 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.52 152.81 52.03 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.657 1.583 . . . . 0.0 112.73 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.6 m -97.82 66.27 1.89 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.683 1.593 . . . . 0.0 111.355 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 127.21 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.474 1.11 . . . . 0.0 109.998 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 29.8 75.69 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.672 -0.642 . . . . 0.0 112.775 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 52.35 35.58 17.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.687 1.995 . . . . 0.0 113.267 -168.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB3' ' HE3' ' A' ' 29' ' ' LYS . 61.1 tt0 -141.51 141.89 33.59 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.256 1.422 . . . . 0.0 109.948 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.3 t -73.7 106.39 5.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.626 -1.296 . . . . 0.0 111.568 -170.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 27' ' ' GLU . 89.2 mttt -138.72 106.37 5.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.329 1.852 . . . . 0.0 108.999 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -72.38 159.66 33.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.324 0.65 . . . . 0.0 112.414 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.476 0.838 0 O-C-N 121.463 -0.773 . . . . 0.0 113.007 -174.193 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t30 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.16 -43.83 78.72 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.85 10.14 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.449 1.9 . . . . 0.0 114.627 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.4 -25.78 3.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.413 1.485 . . . . 0.0 111.98 162.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -73.64 -45.45 52.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.708 1.203 . . . . 0.0 111.973 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.63 -43.49 72.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.487 0.715 . . . . 0.0 110.546 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.46 -9.2 58.25 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.89 1.676 . . . . 0.0 113.78 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -104.5 -7.2 19.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.675 1.99 . . . . 0.0 112.867 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.5 m -117.31 -38.41 3.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.271 1.428 . . . . 0.0 114.039 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.7 -20.32 65.95 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.9 p -64.85 -20.2 66.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.436 1.016 . . . . 0.0 113.581 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -87.57 -10.06 52.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.031 1.332 . . . . 0.0 113.264 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.55 -6.54 77.63 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.827 1.679 . . . . 0.0 115.507 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.01 174.93 5.65 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.744 1.272 . . . . 0.0 111.177 172.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -104.18 152.73 21.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.221 1.008 . . . . 0.0 111.264 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.72 100.99 2.04 Favored Glycine 0 N--CA 1.466 0.678 0 C-N-CA 124.603 1.097 . . . . 0.0 112.41 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -129.1 123.31 31.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.879 1.272 . . . . 0.0 109.815 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.37 155.71 34.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.857 1.263 . . . . 0.0 113.495 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.64 133.51 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.591 1.556 . . . . 0.0 108.118 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.48 92.09 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 121.9 -0.5 . . . . 0.0 113.733 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 65.93 17.72 10.89 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.454 1.902 . . . . 0.0 115.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.05 158.74 42.79 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.804 1.241 . . . . 0.0 112.089 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.49 124.79 24.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.929 -1.107 . . . . 0.0 113.249 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.64 155.61 44.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.079 2.552 . . . . 0.0 109.382 166.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 m -93.59 165.61 12.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.65 -0.656 . . . . 0.0 111.644 168.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 124.564 1.146 . . . . 0.0 113.988 -177.025 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 tp -71.13 -43.88 66.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 112.036 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.107 0.563 . . . . 0.0 112.297 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.42 -24.28 42.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.948 . . . . 0.0 113.304 171.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.2 -37.73 66.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.528 1.131 . . . . 0.0 110.856 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.59 -39.06 48.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.016 0.926 . . . . 0.0 112.128 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.33 -13.67 62.21 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.92 1.288 . . . . 0.0 113.976 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -102.14 -5.06 24.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.963 1.705 . . . . 0.0 113.503 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -122.42 -44.14 2.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.599 1.16 . . . . 0.0 113.25 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -58.89 -32.45 69.53 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.468 -1.395 . . . . 0.0 113.11 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -66.11 -15.59 63.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.035 2.134 . . . . 0.0 115.308 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.41 -8.61 26.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.068 1.747 . . . . 0.0 113.182 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 11.99 54.48 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.064 1.316 . . . . 0.0 115.466 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.77 175.99 9.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.801 1.8 . . . . 0.0 113.111 178.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.38 143.86 26.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.985 1.314 . . . . 0.0 111.424 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.22 130.92 10.48 Favored Glycine 0 N--CA 1.469 0.869 0 C-N-CA 123.823 0.725 . . . . 0.0 112.762 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -139.51 150.67 45.39 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 98.8 m -85.51 70.89 10.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.989 0.915 . . . . 0.0 110.808 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.68 134.58 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.966 1.306 . . . . 0.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 24.67 63.07 Favored Glycine 0 CA--C 1.542 1.736 0 O-C-N 120.727 -1.233 . . . . 0.0 112.995 -165.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 61.21 16.41 7.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.956 2.502 . . . . 0.0 115.371 -166.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -131.55 149.64 52.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.936 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.89 121.2 16.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.2 -1.562 . . . . 0.0 113.251 -167.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -141.26 178.3 7.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 128.895 2.878 . . . . 0.0 109.434 167.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -114.18 159.76 19.74 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.778 -1.201 . . . . 0.0 112.351 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.484 1.233 0 O-C-N 121.32 -0.862 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.83 -36.05 78.11 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.354 -0.841 . . . . 0.0 112.496 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.91 44.92 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.71 -21.34 12.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.983 1.313 . . . . 0.0 112.62 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.99 -46.4 68.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.838 0.855 . . . . 0.0 111.078 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.74 -54.94 22.87 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.377 1.071 . . . . 0.0 111.699 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.01 -11.61 60.39 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.8 m -91.68 -40.25 11.39 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.066 0.946 . . . . 0.0 111.376 172.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.68 -37.19 86.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.158 0.983 . . . . 0.0 111.38 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -57.1 -30.79 64.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -58.1 -21.91 48.34 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.49 1.496 . . . . 0.0 114.27 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.94 -11.16 29.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.181 1.792 . . . . 0.0 112.843 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.52 9.63 59.98 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.097 1.332 . . . . 0.0 116.228 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 -165.9 1.42 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.345 1.458 . . . . 0.0 111.639 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.04 164.94 17.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.97 1.708 . . . . 0.0 112.015 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.18 148.72 21.58 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.316 0.96 . . . . 0.0 115.029 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -136.62 148.52 47.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.484 1.913 . . . . 0.0 111.427 164.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.65 129.25 37.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.085 0.954 . . . . 0.0 111.253 165.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.9 mt -132.82 120.53 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.941 1.296 . . . . 0.0 108.525 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.88 31.94 82.51 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.793 -0.567 . . . . 0.0 113.471 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 62.38 18.83 10.62 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.722 2.009 . . . . 0.0 115.154 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.51 156.25 42.48 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.709 -1.245 . . . . 0.0 111.559 174.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.72 131.22 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.499 1.52 . . . . 0.0 113.26 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -140.8 149.9 42.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 129.048 2.939 . . . . 0.0 108.963 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.2 m -98.13 154.33 17.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.181 -1.574 . . . . 0.0 113.7 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 124.861 1.265 . . . . 0.0 113.318 -178.705 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.5 t30 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.959 0.409 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.43 -20.28 25.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.539 1.135 . . . . 0.0 113.498 -173.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -58.68 5.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.321 1.448 . . . . 0.0 114.241 -161.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.97 29.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.149 1.38 . . . . 0.0 112.704 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 t -67.68 -48.05 67.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.218 1.007 . . . . 0.0 109.921 173.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -39.89 74.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.562 0.745 . . . . 0.0 112.854 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.76 -42.72 99.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.222 0.609 . . . . 0.0 111.121 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 p -67.64 -19.76 65.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.031 0.932 . . . . 0.0 113.437 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -88.75 -35.97 16.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.272 1.029 . . . . 0.0 111.423 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -29.57 70.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.221 -1.55 . . . . 0.0 112.451 173.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -54.21 -16.27 2.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.747 1.619 . . . . 0.0 114.512 165.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.6 -9.3 12.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.08 1.752 . . . . 0.0 113.269 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.99 13.88 70.81 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.799 1.08 . . . . 0.0 115.799 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -175.9 3.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.024 1.329 . . . . 0.0 112.489 173.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.62 140.1 32.54 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.679 1.592 . . . . 0.0 111.337 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.22 131.92 11.0 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 124.743 1.163 . . . . 0.0 111.443 168.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -139.81 160.21 40.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.357 1.463 . . . . 0.0 113.166 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.65 110.09 13.47 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.196 -0.94 . . . . 0.0 109.956 166.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -127.85 128.92 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.814 1.646 . . . . 0.0 108.656 -174.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.57 32.39 61.21 Favored Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.317 -0.864 . . . . 0.0 113.382 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 59.94 21.0 10.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.847 2.059 . . . . 0.0 115.907 -171.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -134.82 133.88 40.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.537 . . . . 0.0 110.524 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.47 119.54 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.705 -1.247 . . . . 0.0 111.983 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -153.88 178.92 9.38 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.445 2.298 . . . . 0.0 110.956 -176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -101.96 154.54 18.86 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.805 -1.185 . . . . 0.0 114.117 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.715 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -48.88 -41.02 31.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.66 64.8 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.58 -21.98 18.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.087 . . . . 0.0 113.243 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 -29.0 16.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.083 0.953 . . . . 0.0 113.049 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.32 -26.42 52.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.56 -1.338 . . . . 0.0 111.96 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.43 -29.7 69.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.372 1.069 . . . . 0.0 113.024 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -103.48 -10.45 18.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.425 1.49 . . . . 0.0 114.422 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.11 -40.34 2.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.247 1.019 . . . . 0.0 113.105 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.65 -14.9 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.534 -1.354 . . . . 0.0 112.461 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 p -61.7 -19.17 62.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.106 1.763 . . . . 0.0 113.914 160.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.39 9.51 16.87 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.363 2.265 . . . . 0.0 110.943 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.81 64.94 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-O 117.118 -1.935 . . . . 0.0 116.916 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.05 6.97 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.853 2.326 . . . . 0.0 113.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.07 134.14 40.13 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -161.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.82 58.04 0.52 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.998 2.237 . . . . 0.0 115.055 169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 133.23 49.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.088 1.355 . . . . 0.0 112.172 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -132.61 112.85 12.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.507 1.523 . . . . 0.0 110.223 167.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.0 mt -133.46 133.2 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.496 1.518 . . . . 0.0 108.529 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.26 35.22 87.67 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 119.547 -0.585 . . . . 0.0 113.465 -175.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.06 33.79 19.44 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -137.69 130.76 30.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.635 -1.291 . . . . 0.0 113.395 165.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -73.93 110.34 8.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.719 1.208 . . . . 0.0 110.299 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -152.5 119.62 5.86 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.931 1.292 . . . . 0.0 110.094 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.72 175.62 5.54 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.655 0.741 . . . . 0.0 112.509 -168.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.479 1.003 0 O-C-N 120.96 -1.087 . . . . 0.0 113.598 -174.136 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.4 t30 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.02 -31.88 72.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.39 0.676 . . . . 0.0 111.979 -170.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -7.27 10.6 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 5.01 30.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.138 1.775 . . . . 0.0 113.765 171.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.03 -42.62 2.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.856 2.062 . . . . 0.0 112.755 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.72 -55.38 34.92 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.314 0.961 . . . . 0.0 113.4 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -64.45 -21.07 66.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.534 1.534 . . . . 0.0 113.954 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -83.07 -0.87 50.99 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.076 1.75 . . . . 0.0 111.994 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 -23.26 4.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.237 1.415 . . . . 0.0 113.069 166.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -66.17 -21.17 66.32 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.011 -1.681 . . . . 0.0 112.566 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 p -62.29 -13.8 32.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.935 1.694 . . . . 0.0 114.626 163.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.23 -12.89 18.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.66 1.984 . . . . 0.0 112.172 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 15.81 37.93 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 118.246 -1.308 . . . . 0.0 115.697 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 167.94 20.98 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.725 1.762 . . . . 0.0 113.849 173.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.83 121.41 28.44 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.572 -1.33 . . . . 0.0 112.034 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.8 119.49 5.73 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.804 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -132.27 94.52 3.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.513 1.125 . . . . 0.0 113.739 -173.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.5 p -96.33 154.96 16.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 113.527 173.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.74 -45.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.752 2.021 . . . . 0.0 111.064 168.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.18 34.31 4.89 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.958 1.742 . . . . 0.0 112.782 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 58.07 22.84 9.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.27 2.228 . . . . 0.0 115.561 -169.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.82 103.65 14.37 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.461 1.104 . . . . 0.0 111.281 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -81.8 55.71 2.81 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.63 1.172 . . . . 0.0 112.074 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.87 156.36 37.31 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.792 2.037 . . . . 0.0 109.821 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 m -131.53 153.1 50.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.777 0.799 . . . . 0.0 113.097 -172.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 125.524 1.53 . . . . 0.0 112.52 -170.501 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.61 -7.67 0.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.39 67.29 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -160.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.38 10.69 4.47 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.222 1.009 . . . . 0.0 113.107 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -71.56 -52.99 15.27 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.02 -1.05 . . . . 0.0 112.068 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.22 -39.81 94.75 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.719 0.808 . . . . 0.0 111.279 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -56.57 -43.98 80.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.433 1.093 . . . . 0.0 111.823 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 t -75.15 -50.38 16.47 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.63 1.172 . . . . 0.0 111.104 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.16 -43.91 92.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.779 0.832 . . . . 0.0 112.105 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -60.63 -32.04 71.21 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.7 -1.25 . . . . 0.0 112.593 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 m -73.9 -26.11 60.36 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.615 1.166 . . . . 0.0 113.089 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.1 -20.61 32.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.458 1.026 . . . . 0.0 112.827 169.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.09 11.27 9.13 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.172 1.844 . . . . 0.0 116.332 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -179.74 7.03 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.662 1.731 . . . . 0.0 114.634 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 tp -84.74 136.72 33.59 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.036 1.335 . . . . 0.0 112.128 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.92 102.7 2.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.883 0.754 . . . . 0.0 112.549 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -96.21 123.9 40.01 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.338 1.055 . . . . 0.0 111.996 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 p -92.1 135.26 34.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.226 1.01 . . . . 0.0 112.84 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -139.42 113.73 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 127.485 2.314 . . . . 0.0 109.309 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.46 45.53 75.9 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 114.922 163.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.284 2.0 mp0 68.09 15.5 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.281 2.232 . . . . 0.0 116.881 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.41 166.06 12.77 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.392 2.277 . . . . 0.0 111.099 162.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -150.02 101.03 2.99 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.419 1.087 . . . . 0.0 112.829 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -116.21 139.12 50.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.648 1.579 . . . . 0.0 110.407 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.43 152.6 34.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 124.6 1.16 . . . . 0.0 112.614 -173.338 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.41 -37.07 69.67 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.303 1.041 . . . . 0.0 112.582 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -17.26 8.73 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.736 2.014 . . . . 0.0 115.884 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.55 -26.91 10.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.095 1.358 . . . . 0.0 112.807 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.99 -39.04 83.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.264 1.826 . . . . 0.0 111.747 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.62 -27.06 6.15 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.518 1.527 . . . . 0.0 113.083 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.0 -44.03 7.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.99 1.316 . . . . 0.0 111.471 -175.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.3 p -76.63 -30.3 56.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.701 0.682 . . . . 0.0 112.825 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -31.04 70.08 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.398 -0.814 . . . . 0.0 112.243 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.82 -17.6 64.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.934 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 m -67.49 -17.99 64.89 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.427 1.091 . . . . 0.0 113.864 166.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.8 mt -105.04 -10.69 17.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.736 1.614 . . . . 0.0 112.533 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.41 11.93 65.8 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.182 1.372 . . . . 0.0 114.414 -166.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.7 158.06 16.98 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.024 1.412 . . . . 0.0 111.557 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.06 140.23 29.85 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 109.259 168.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 118.95 11.12 Favored Glycine 0 N--CA 1.467 0.751 0 O-C-N 121.433 -0.792 . . . . 0.0 113.689 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -143.15 159.71 41.78 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.95 1.7 . . . . 0.0 109.724 167.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.68 160.07 21.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.114 1.366 . . . . 0.0 112.397 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mt -138.11 122.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.759 1.224 . . . . 0.0 108.877 166.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 35.1 78.51 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.861 0.743 . . . . 0.0 114.143 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 59.97 31.03 20.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.647 1.979 . . . . 0.0 114.791 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.89 148.37 48.57 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.548 1.939 . . . . 0.0 110.009 167.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.49 113.51 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.36 1.464 . . . . 0.0 112.189 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -148.09 112.83 5.39 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.454 2.302 . . . . 0.0 108.61 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 p -127.68 177.9 6.49 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -155.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 126.113 1.765 . . . . 0.0 114.021 -152.188 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.65 -45.49 92.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.32 0.963 . . . . 0.0 111.245 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -1.88 6.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.423 1.489 . . . . 0.0 114.87 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.72 -37.09 4.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.198 1.399 . . . . 0.0 112.378 168.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.13 -33.72 50.28 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.656 1.183 . . . . 0.0 112.637 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.2 -38.73 27.0 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.639 0.775 . . . . 0.0 112.403 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.32 -36.42 83.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.458 1.503 . . . . 0.0 112.115 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -77.5 -7.63 56.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 113.003 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.31 -30.82 7.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.684 1.594 . . . . 0.0 112.715 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -52.91 -41.5 64.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.648 1.979 . . . . 0.0 111.315 168.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 p -67.31 -7.52 25.16 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.035 1.734 . . . . 0.0 114.808 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.75 -27.98 8.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.5 1.92 . . . . 0.0 112.43 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.93 12.37 16.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.328 1.442 . . . . 0.0 115.431 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -176.48 4.11 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.478 1.639 . . . . 0.0 112.568 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.6 mt -95.71 150.25 20.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.258 0.936 . . . . 0.0 112.817 -172.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.93 84.6 1.37 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 124.957 1.265 . . . . 0.0 112.592 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -98.32 88.26 4.11 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.214 1.007 . . . . 0.0 110.842 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.42 133.08 41.22 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.96 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.78 139.67 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.543 1.537 . . . . 0.0 108.826 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 40.89 99.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.894 0.759 . . . . 0.0 112.813 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 53.58 34.13 17.91 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 114.203 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -130.37 131.4 45.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.864 1.266 . . . . 0.0 110.508 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.9 t -76.15 110.49 10.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.728 0.775 . . . . 0.0 110.522 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.65 170.04 20.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.898 2.079 . . . . 0.0 111.089 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.41 179.61 4.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.76 1.224 . . . . 0.0 111.698 -167.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.475 0.783 0 O-C-N 121.49 -0.756 . . . . 0.0 112.993 -176.754 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.3 -61.16 0.98 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.458 1.103 . . . . 0.0 111.844 -174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.49 -11.55 60.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -29.54 13.86 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.055 0.942 . . . . 0.0 112.485 163.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.9 -43.46 71.71 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.371 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -45.79 -42.42 12.14 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.807 1.243 . . . . 0.0 112.349 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.05 -42.42 63.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.738 1.215 . . . . 0.0 110.999 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 m -69.08 -18.45 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.762 1.225 . . . . 0.0 112.826 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.69 -14.67 20.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.354 1.461 . . . . 0.0 114.495 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -33.47 74.8 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.519 -1.363 . . . . 0.0 114.596 -168.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -73.19 -12.32 60.83 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.67 0.56 57.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.803 0.841 . . . . 0.0 111.95 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.96 31.72 64.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.277 0.941 . . . . 0.0 114.605 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.74 -172.89 3.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.487 1.115 . . . . 0.0 113.064 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.29 145.58 24.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 111.51 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 121.62 6.84 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 167.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -146.25 135.67 22.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.813 1.245 . . . . 0.0 112.471 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -78.79 149.24 32.66 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.964 0.906 . . . . 0.0 113.22 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.34 -44.15 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.851 1.26 . . . . 0.0 111.816 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.77 56.23 0.68 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.294 1.902 . . . . 0.0 109.483 165.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.06 0.04 0.26 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.623 2.769 . . . . 0.0 117.044 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -102.05 150.5 23.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.394 1.877 . . . . 0.0 111.502 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.11 126.09 26.09 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.529 1.157 . . . . 0.0 113.704 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -139.62 159.96 40.95 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 129.2 3.0 . . . . 0.0 108.419 162.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -106.89 155.42 19.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.151 0.581 . . . . 0.0 111.851 169.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -168.231 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 122.027 0.917 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.88 -45.27 93.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.733 1.213 . . . . 0.0 111.313 -163.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.0 61.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.821 1.248 . . . . 0.0 114.292 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.6 -37.07 10.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.919 1.288 . . . . 0.0 112.879 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.41 -33.86 65.18 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.016 -1.052 . . . . 0.0 112.408 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.02 -20.27 56.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.583 1.153 . . . . 0.0 113.361 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.84 -44.99 46.19 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.27 -0.894 . . . . 0.0 111.396 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -72.81 -42.86 63.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.943 0.897 . . . . 0.0 111.644 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.42 -29.94 64.17 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -30.14 71.14 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 112.249 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -71.62 -7.67 49.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.035 1.334 . . . . 0.0 113.629 171.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -104.57 5.22 33.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.249 1.82 . . . . 0.0 112.355 166.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.62 89.36 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 116.685 -2.175 . . . . 0.0 116.257 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.37 -176.35 3.79 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 121.052 2.426 . . . . 0.0 115.579 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.54 137.69 33.74 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.616 1.566 . . . . 0.0 109.984 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.47 98.59 1.89 Allowed Glycine 0 N--CA 1.465 0.58 0 C-N-CA 124.155 0.883 . . . . 0.0 112.145 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -131.81 122.81 26.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.291 1.036 . . . . 0.0 110.509 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.0 p -111.88 157.82 20.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -119.44 -30.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.833 1.253 . . . . 0.0 112.963 -157.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.49 28.44 4.49 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.779 1.657 . . . . 0.0 113.666 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 55.58 41.35 30.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.152 1.781 . . . . 0.0 113.481 -170.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -140.43 114.03 8.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.693 1.197 . . . . 0.0 108.618 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.7 t -54.17 126.55 23.31 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 122.768 1.27 . . . . 0.0 114.232 -157.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.31 157.06 46.55 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 128.602 2.761 . . . . 0.0 110.001 -171.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -116.25 169.36 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.401 1.08 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.784 -1.197 . . . . 0.0 113.439 -169.577 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.21 -38.93 92.8 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.987 -1.071 . . . . 0.0 112.709 -167.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.21 -12.31 61.56 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.76 -30.84 11.85 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.55 1.14 . . . . 0.0 112.153 167.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.27 -40.9 74.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.542 1.537 . . . . 0.0 112.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.23 -41.26 65.22 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 111.056 169.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.64 -30.57 69.31 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.829 0.851 . . . . 0.0 112.528 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.9 m -76.84 -44.13 33.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.1 m -74.78 -36.21 62.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 113.334 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -32.12 72.66 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.509 -1.369 . . . . 0.0 112.78 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -62.89 -16.07 57.45 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.64 -15.23 24.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.181 1.392 . . . . 0.0 112.483 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.87 7.32 29.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.575 1.559 . . . . 0.0 116.741 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.95 -175.08 3.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.27 1.535 . . . . 0.0 114.05 -174.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.72 144.49 25.68 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.398 1.079 . . . . 0.0 111.257 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.1 132.52 11.05 Favored Glycine 0 N--CA 1.465 0.579 0 C-N-CA 124.382 0.991 . . . . 0.0 113.175 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.53 162.1 32.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 174.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.15 98.91 12.03 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.153 -0.967 . . . . 0.0 110.773 169.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.1 mm -117.38 119.63 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.964 1.706 . . . . 0.0 109.973 -173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.17 37.53 94.67 Favored Glycine 0 CA--C 1.534 1.253 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -161.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.401 0.3 OUTLIER 47.76 33.65 3.31 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.876 2.47 . . . . 0.0 116.502 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -136.8 160.57 38.46 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.209 1.804 . . . . 0.0 112.024 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.44 116.1 6.38 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.703 -0.623 . . . . 0.0 112.559 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -143.08 153.59 43.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.571 2.349 . . . . 0.0 109.925 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -106.21 157.07 17.84 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.995 -1.065 . . . . 0.0 113.253 -171.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -164.766 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -155.73 110.62 2.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 128.574 2.75 . . . . 0.0 110.102 -0.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.93 166.12 27.73 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.546 3.138 . . . . 0.0 109.313 -13.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -139.62 27.3 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.9 t -84.65 125.06 32.16 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.828 -1.17 . . . . 0.0 110.981 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -87.87 93.76 9.56 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 163.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.05 -35.78 73.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.565 0.746 . . . . 0.0 111.745 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.81 -22.13 66.54 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.41 31.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.661 1.184 . . . . 0.0 113.259 170.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.69 -46.69 12.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.232 1.013 . . . . 0.0 111.273 172.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.08 -39.45 66.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.523 1.529 . . . . 0.0 112.675 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.51 -4.7 12.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.8 p -103.0 1.43 33.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.98 1.712 . . . . 0.0 114.16 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.03 -45.08 0.85 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.653 1.581 . . . . 0.0 112.868 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -60.83 -31.5 70.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.642 1.577 . . . . 0.0 114.324 -167.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 m -80.54 -5.28 56.5 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.68 -2.54 38.06 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.132 1.773 . . . . 0.0 112.599 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.17 22.95 62.11 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 118.763 -1.021 . . . . 0.0 115.014 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.63 171.05 15.02 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.141 1.471 . . . . 0.0 113.27 168.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 tp -90.18 136.65 32.92 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.423 1.889 . . . . 0.0 111.402 -174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 133.42 26.25 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.637 0.637 . . . . 0.0 113.586 166.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -123.79 133.37 53.83 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.229 1.812 . . . . 0.0 111.543 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.67 129.36 36.72 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.423 1.106 . . . . 0.0 113.223 168.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.7 mt -137.27 127.84 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.082 1.753 . . . . 0.0 107.921 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.67 37.92 95.04 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.956 0.789 . . . . 0.0 113.945 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.259 4.5 mp0 56.18 21.96 5.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.626 2.371 . . . . 0.0 115.484 -170.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.22 108.34 19.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.952 1.301 . . . . 0.0 110.283 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -89.24 125.9 35.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.666 1.186 . . . . 0.0 112.493 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -138.03 -179.55 5.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 129.221 3.009 . . . . 0.0 109.483 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.7 m -114.56 158.29 21.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.002 -1.061 . . . . 0.0 111.393 165.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -70.14 155.45 93.44 Favored Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 123.702 0.801 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.28 -13.53 15.25 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 123.729 2.952 . . . . 0.0 114.142 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 125.639 1.576 . . . . 0.0 112.651 -178.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.825 0 CA-C-O 118.161 -1.355 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -155.47 168.98 25.34 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.995 2.518 . . . . 0.0 113.423 1.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 36.67 71.27 0.14 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.979 2.512 . . . . 0.0 116.007 164.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -147.01 137.52 23.61 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.111 -0.993 . . . . 0.0 112.072 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.7 p -61.75 162.19 9.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.64 1.576 . . . . 0.0 112.401 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -62.14 115.77 4.4 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.034 -1.041 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.57 -36.44 83.82 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.781 -0.574 . . . . 0.0 112.049 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.65 -17.6 63.51 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.496 1.118 . . . . 0.0 113.283 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.77 -3.61 57.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.035 0.934 . . . . 0.0 112.644 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.7 t -123.38 -57.4 1.67 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.57 -40.71 88.25 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.699 -1.251 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.33 -10.8 57.45 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.38 -25.23 23.94 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.216 1.371 . . . . 0.0 113.125 166.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.75 -40.54 7.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.485 1.114 . . . . 0.0 113.503 -169.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -62.61 -33.41 74.94 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -165.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -71.09 -2.07 14.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 173.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -98.14 -8.92 26.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.268 1.427 . . . . 0.0 112.628 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.87 71.64 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.299 -1.279 . . . . 0.0 115.621 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.62 168.09 11.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.833 1.817 . . . . 0.0 113.05 176.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -92.68 143.94 25.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.609 1.164 . . . . 0.0 111.256 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.49 117.52 5.46 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 125.017 1.294 . . . . 0.0 112.402 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -138.69 174.53 10.43 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.02 1.728 . . . . 0.0 112.274 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -160.29 154.39 23.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.199 1.4 . . . . 0.0 112.543 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mm -126.95 -37.96 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.626 1.57 . . . . 0.0 112.498 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 30.35 10.3 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.775 1.655 . . . . 0.0 111.802 172.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 52.81 35.78 19.69 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -124.59 128.17 48.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.977 1.311 . . . . 0.0 109.192 166.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.09 116.11 17.45 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.337 -0.852 . . . . 0.0 112.188 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -136.23 119.63 16.88 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.45 1.9 . . . . 0.0 109.832 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.4 m -75.08 151.12 38.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.5 m -83.71 153.77 64.62 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -171.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.63 138.51 32.27 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.154 2.57 . . . . 0.0 111.77 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.93 1.692 . . . . 0.0 111.213 -177.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -96.24 160.61 14.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.108 1.363 . . . . 0.0 111.971 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.03 72.33 10.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.531 1.133 . . . . 0.0 109.611 164.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 t80 59.2 162.29 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.092 2.157 . . . . 0.0 114.101 -164.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.6 28.94 0.1 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.391 0.0 OUTLIER 48.65 30.99 2.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.814 2.845 . . . . 0.0 115.745 -175.209 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.22 -27.54 65.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 113.038 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.53 65.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.931 1.293 . . . . 0.0 114.335 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.41 -26.47 14.84 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.705 1.202 . . . . 0.0 112.118 170.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -71.31 -50.69 29.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.195 0.998 . . . . 0.0 113.253 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.93 -40.16 87.53 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.108 0.867 . . . . 0.0 112.047 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.25 -11.49 50.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -95.1 -6.13 42.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.215 1.406 . . . . 0.0 113.28 170.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.6 m -115.7 -46.91 2.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.876 1.67 . . . . 0.0 112.647 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -65.14 -23.77 67.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.372 -1.455 . . . . 0.0 114.504 -169.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -60.55 -30.27 69.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.782 0.833 . . . . 0.0 112.84 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.73 -6.27 57.54 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.443 1.897 . . . . 0.0 112.832 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.51 20.27 74.78 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.569 -1.128 . . . . 0.0 115.085 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.81 171.06 9.17 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.244 1.522 . . . . 0.0 113.268 169.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 tp -89.19 133.93 34.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.56 2.344 . . . . 0.0 110.55 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.4 121.3 5.37 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.376 0.988 . . . . 0.0 111.974 165.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -119.19 132.05 55.91 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.088 0.955 . . . . 0.0 113.498 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.5 m -84.19 132.8 34.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 112.621 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -137.25 126.14 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.757 2.023 . . . . 0.0 108.709 171.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.72 33.11 66.7 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.648 -0.657 . . . . 0.0 113.456 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.26 30.3 mt-10 62.89 6.69 2.27 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.864 2.065 . . . . 0.0 116.294 -175.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -91.47 165.9 13.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.798 1.639 . . . . 0.0 109.77 156.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -139.21 137.97 36.46 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.636 -1.29 . . . . 0.0 113.485 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -149.68 147.44 28.08 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.482 2.313 . . . . 0.0 109.205 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -73.11 166.04 23.87 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.743 1.61 . . . . 0.0 112.66 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -114.06 163.01 20.12 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 124.822 1.249 . . . . 0.0 112.844 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.91 79.66 1.28 Allowed 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.501 2.801 . . . . 0.0 109.518 161.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.59 1.956 . . . . 0.0 113.63 -173.082 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.063 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -72.84 169.94 15.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.174 1.39 . . . . 0.0 114.346 -168.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.73 74.32 7.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.125 0.97 . . . . 0.0 111.64 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 71.11 149.76 0.09 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.421 2.288 . . . . 0.0 113.856 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.9 p -59.42 164.45 3.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.443 1.497 . . . . 0.0 113.997 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -66.92 109.75 3.06 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 109.516 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 tp -149.62 -22.54 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -171.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.93 79.76 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -164.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.52 -7.08 42.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.605 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.36 -52.65 44.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.24 1.416 . . . . 0.0 109.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.12 -45.43 61.58 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.857 0.863 . . . . 0.0 112.42 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.99 -26.62 68.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.102 0.961 . . . . 0.0 112.623 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 m -93.03 -30.62 15.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.325 1.85 . . . . 0.0 112.596 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -63.88 -24.39 67.72 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.111 -0.993 . . . . 0.0 112.325 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -46.24 72.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.198 1.399 . . . . 0.0 113.084 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -76.74 -2.11 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.76 -20.32 20.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.761 1.225 . . . . 0.0 112.32 163.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.66 77.58 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.0 1.286 . . . . 0.0 114.005 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.44 157.66 16.88 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.627 1.171 . . . . 0.0 110.228 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.92 145.81 35.92 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 107.397 161.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.1 116.16 4.7 Favored Glycine 0 N--CA 1.467 0.755 0 O-C-N 120.595 -1.316 . . . . 0.0 111.893 168.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -140.29 119.27 12.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.871 0.869 . . . . 0.0 110.225 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 p -77.75 149.07 34.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.655 1.582 . . . . 0.0 113.679 -168.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.9 mm -135.53 131.32 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.042 1.737 . . . . 0.0 109.498 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.23 28.79 67.37 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.824 -0.547 . . . . 0.0 113.196 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.273 17.3 mt-10 58.2 13.11 2.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.817 2.847 . . . . 0.0 115.814 -169.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.82 158.02 16.43 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.383 2.273 . . . . 0.0 111.509 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -63.38 122.62 16.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.09 0.956 . . . . 0.0 111.683 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -148.77 166.82 27.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.669 2.787 . . . . 0.0 110.09 171.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.5 m -131.37 160.79 34.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.558 1.143 . . . . 0.0 111.482 -177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m -145.28 152.78 51.31 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 127.501 2.32 . . . . 0.0 112.161 -170.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -74.35 -19.16 19.84 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 121.796 1.664 . . . . 0.0 115.437 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.258 1.502 0 C-N-CA 125.424 1.49 . . . . 0.0 113.799 -168.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.71 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -97.21 -18.35 19.3 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -172.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.96 140.66 50.88 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.484 1.114 . . . . 0.0 112.135 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -86.04 25.85 1.09 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.431 1.492 . . . . 0.0 112.415 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.8 t -150.9 125.21 9.43 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.752 1.621 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.14 128.06 35.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.118 0.967 . . . . 0.0 110.433 177.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.9 tp -79.07 -34.04 44.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.12 0.418 . . . . 0.0 112.091 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.09 95.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.536 -0.727 . . . . 0.0 111.391 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.4 38.16 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.741 -1.224 . . . . 0.0 113.96 173.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.59 -40.2 11.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.498 1.519 . . . . 0.0 110.996 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.5 -42.0 81.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.538 -1.351 . . . . 0.0 111.187 164.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.05 -16.35 51.31 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.659 -1.276 . . . . 0.0 113.636 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -97.65 -27.15 14.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 113.781 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.5 m -108.74 -42.93 4.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 114.654 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.69 -31.33 70.59 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.358 1.463 . . . . 0.0 114.263 -165.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -61.78 -19.84 62.94 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 114.233 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.6 -5.93 55.27 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.834 1.654 . . . . 0.0 112.757 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.52 10.65 83.11 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.541 -1.144 . . . . 0.0 115.266 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.97 170.47 8.32 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.102 1.451 . . . . 0.0 112.732 170.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.0 tp -87.13 134.95 33.46 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.234 1.814 . . . . 0.0 110.554 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.23 132.97 13.28 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.135 0.398 . . . . 0.0 112.563 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -134.36 148.97 50.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.553 1.541 . . . . 0.0 109.101 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.36 118.95 27.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.751 1.159 . . . . 0.0 112.911 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -137.17 131.76 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.557 1.543 . . . . 0.0 109.445 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 33.46 85.82 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 121.801 -0.562 . . . . 0.0 112.448 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.66 14.86 8.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.825 2.05 . . . . 0.0 115.597 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.25 136.48 53.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.922 1.289 . . . . 0.0 112.754 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.85 121.4 17.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 110.671 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -139.83 105.68 5.17 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.388 2.675 . . . . 0.0 108.607 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.9 m -68.75 156.22 38.71 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.149 -175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -78.67 154.47 78.52 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 121.191 -0.943 . . . . 0.0 111.663 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -83.43 115.92 2.27 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.107 2.538 . . . . 0.0 109.611 170.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.9 t80 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.457 -168.127 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.965 0 CA-C-O 120.794 0.108 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -86.43 125.38 33.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.378 1.871 . . . . 0.0 111.603 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.95 8.55 3.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -67.96 168.67 11.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.084 0.945 . . . . 0.0 112.898 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -147.06 152.45 38.56 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.906 1.283 . . . . 0.0 109.814 162.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -76.34 94.77 3.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 159.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -70.21 -33.57 71.85 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.436 0.694 . . . . 0.0 111.824 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.95 83.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.74 0.816 . . . . 0.0 112.627 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.73 62.53 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.314 1.046 . . . . 0.0 113.48 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -94.21 -42.19 9.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.184 1.394 . . . . 0.0 112.342 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -40.61 58.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.703 1.601 . . . . 0.0 113.763 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -12.17 55.08 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 p -90.33 -7.81 52.37 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.007 1.323 . . . . 0.0 113.384 171.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.05 -34.31 5.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.211 1.805 . . . . 0.0 112.51 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.6 -27.05 68.93 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.762 1.225 . . . . 0.0 114.187 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 p -69.63 -14.05 62.62 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.877 1.671 . . . . 0.0 114.032 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.76 0.78 22.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.982 1.713 . . . . 0.0 112.944 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.85 -17.83 53.36 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.76 1.647 . . . . 0.0 115.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 176.0 5.3 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.073 1.436 . . . . 0.0 113.518 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 mt -91.86 155.43 18.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.389 1.476 . . . . 0.0 111.59 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 148.73 49.54 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.992 -0.442 . . . . 0.0 113.363 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.17 130.05 38.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.068 1.747 . . . . 0.0 109.751 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -159.51 121.48 3.37 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -136.22 135.14 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 127.332 2.253 . . . . 0.0 108.113 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.43 34.01 73.44 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 113.752 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 58.11 5.46 0.4 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.563 2.345 . . . . 0.0 116.668 -171.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -89.52 108.42 19.65 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.825 -1.172 . . . . 0.0 112.403 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.02 122.61 29.02 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.44 1.114 . . . . 0.0 113.326 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -135.11 179.29 6.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.891 3.276 . . . . 0.0 109.388 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 m -120.65 160.15 23.86 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.042 -1.037 . . . . 0.0 111.206 167.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -70.57 150.19 95.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 121.577 -0.702 . . . . 0.0 112.172 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.65 8.42 3.7 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 123.808 3.005 . . . . 0.0 114.416 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.7 2.0 . . . . 0.0 114.49 -168.334 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 CA-C-O 118.53 -1.15 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p 57.9 160.23 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 131.397 3.879 . . . . 0.0 116.245 6.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.98 20.17 2.35 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -137.55 158.61 44.01 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.253 1.421 . . . . 0.0 112.818 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.1 t 53.9 54.52 9.65 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.378 1.871 . . . . 0.0 113.663 172.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.72 151.71 44.38 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.952 0.901 . . . . 0.0 112.027 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.4 tp -114.68 -49.48 2.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.684 1.193 . . . . 0.0 113.131 -168.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.28 66.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.496 0.719 . . . . 0.0 112.634 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.93 61.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.541 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -84.33 -44.38 13.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.331 1.053 . . . . 0.0 110.216 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.9 -23.55 67.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.727 -1.233 . . . . 0.0 112.736 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.88 -2.28 56.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.511 1.524 . . . . 0.0 114.185 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -133.92 22.93 3.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.326 1.051 . . . . 0.0 113.584 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -130.65 -32.97 1.66 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -72.93 -24.11 60.78 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.981 1.719 . . . . 0.0 112.927 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -54.54 -33.05 59.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.587 1.155 . . . . 0.0 112.551 162.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.74 -9.58 34.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.089 2.155 . . . . 0.0 113.258 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.7 61.4 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.528 2.013 . . . . 0.0 116.409 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.69 157.82 18.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.942 1.871 . . . . 0.0 112.718 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.62 128.73 33.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.786 1.234 . . . . 0.0 110.193 164.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 114.69 6.88 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.331 0.967 . . . . 0.0 113.725 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -150.46 164.04 36.9 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.497 2.319 . . . . 0.0 111.647 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.3 177.95 4.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.75 1.62 . . . . 0.0 112.053 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -94.1 -46.6 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.107 -0.996 . . . . 0.0 110.247 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.91 11.53 0.06 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.457 1.503 . . . . 0.0 114.468 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.33 -58.13 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.689 1.596 . . . . 0.0 111.358 -160.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.12 166.23 32.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.17 110.56 1.65 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.916 1.686 . . . . 0.0 111.716 -171.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -147.54 81.19 1.51 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.442 3.097 . . . . 0.0 106.728 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.94 170.46 10.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.686 1.594 . . . . 0.0 114.344 -162.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.27 160.67 66.03 Favored Pre-proline 0 N--CA 1.482 1.128 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -149.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.55 53.63 3.19 Favored 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.741 4.961 . . . . 0.0 114.334 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 126.262 1.825 . . . . 0.0 110.885 172.69 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -70.23 -22.37 62.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.779 0.831 . . . . 0.0 111.558 172.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.79 163.0 24.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.572 1.949 . . . . 0.0 110.06 158.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -81.54 146.46 30.14 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 113.044 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 t -125.24 135.84 52.95 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.736 1.214 . . . . 0.0 113.191 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -123.66 118.95 28.42 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 126.165 1.786 . . . . 0.0 108.693 163.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.61 -39.4 76.78 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.465 1.106 . . . . 0.0 112.182 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.24 13.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.129 1.772 . . . . 0.0 114.925 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.81 -10.48 14.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.288 1.435 . . . . 0.0 113.438 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.39 -40.82 12.48 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.203 1.401 . . . . 0.0 111.837 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.56 -44.21 72.71 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.103 -0.998 . . . . 0.0 110.354 164.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.33 -2.33 13.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.594 1.157 . . . . 0.0 113.974 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -113.18 -0.76 14.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.527 1.931 . . . . 0.0 113.631 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.59 -48.35 1.93 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 111.297 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -72.19 -14.57 61.84 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.717 -1.239 . . . . 0.0 114.016 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.2 p -65.84 -22.6 66.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.505 1.522 . . . . 0.0 113.437 165.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.8 -18.34 23.01 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.418 1.487 . . . . 0.0 112.717 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 0.75 32.67 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.413 1.959 . . . . 0.0 115.934 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.17 161.12 18.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.465 1.632 . . . . 0.0 113.292 175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.41 135.29 36.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.134 1.374 . . . . 0.0 110.779 -173.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.39 131.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.663 0.649 . . . . 0.0 113.764 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.52 152.81 52.03 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.657 1.583 . . . . 0.0 112.73 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.6 m -97.82 66.27 1.89 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.683 1.593 . . . . 0.0 111.355 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 127.21 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.474 1.11 . . . . 0.0 109.998 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 29.8 75.69 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.672 -0.642 . . . . 0.0 112.775 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 52.35 35.58 17.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.687 1.995 . . . . 0.0 113.267 -168.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' HB3' ' HE3' ' A' ' 29' ' ' LYS . 61.1 tt0 -141.51 141.89 33.59 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.256 1.422 . . . . 0.0 109.948 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.3 t -73.7 106.39 5.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.626 -1.296 . . . . 0.0 111.568 -170.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 27' ' ' GLU . 89.2 mttt -138.72 106.37 5.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.329 1.852 . . . . 0.0 108.999 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -72.38 159.66 33.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.324 0.65 . . . . 0.0 112.414 -170.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.9 149.55 63.57 Favored Pre-proline 0 N--CA 1.476 0.838 0 O-C-N 121.463 -0.773 . . . . 0.0 113.007 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.99 75.71 4.92 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.803 3.002 . . . . 0.0 112.028 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 124.071 0.948 . . . . 0.0 111.626 164.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.901 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -69.19 -15.0 63.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.975 1.31 . . . . 0.0 114.058 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.61 178.07 7.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.212 1.405 . . . . 0.0 111.318 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -127.67 150.44 49.76 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.726 1.611 . . . . 0.0 109.953 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.43 129.5 41.91 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.403 -0.811 . . . . 0.0 112.554 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -136.0 118.44 15.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 154.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.16 -43.83 78.72 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.85 10.14 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.449 1.9 . . . . 0.0 114.627 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.4 -25.78 3.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.413 1.485 . . . . 0.0 111.98 162.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -73.64 -45.45 52.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.708 1.203 . . . . 0.0 111.973 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.63 -43.49 72.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.487 0.715 . . . . 0.0 110.546 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.46 -9.2 58.25 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.89 1.676 . . . . 0.0 113.78 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -104.5 -7.2 19.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.675 1.99 . . . . 0.0 112.867 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.5 m -117.31 -38.41 3.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.271 1.428 . . . . 0.0 114.039 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.7 -20.32 65.95 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.9 p -64.85 -20.2 66.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.436 1.016 . . . . 0.0 113.581 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -87.57 -10.06 52.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.031 1.332 . . . . 0.0 113.264 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.55 -6.54 77.63 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.827 1.679 . . . . 0.0 115.507 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.01 174.93 5.65 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.744 1.272 . . . . 0.0 111.177 172.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -104.18 152.73 21.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.221 1.008 . . . . 0.0 111.264 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.72 100.99 2.04 Favored Glycine 0 N--CA 1.466 0.678 0 C-N-CA 124.603 1.097 . . . . 0.0 112.41 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -129.1 123.31 31.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.879 1.272 . . . . 0.0 109.815 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.37 155.71 34.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.857 1.263 . . . . 0.0 113.495 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.64 133.51 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.591 1.556 . . . . 0.0 108.118 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.48 92.09 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 121.9 -0.5 . . . . 0.0 113.733 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 65.93 17.72 10.89 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.454 1.902 . . . . 0.0 115.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.05 158.74 42.79 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.804 1.241 . . . . 0.0 112.089 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.49 124.79 24.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.929 -1.107 . . . . 0.0 113.249 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.64 155.61 44.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.079 2.552 . . . . 0.0 109.382 166.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 m -93.59 165.61 12.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.65 -0.656 . . . . 0.0 111.644 168.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.88 161.56 23.07 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.564 1.146 . . . . 0.0 113.988 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -68.43 134.85 32.08 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.92 3.08 . . . . 0.0 111.709 160.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -176.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -138.82 23.59 2.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.136 1.375 . . . . 0.0 113.059 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.59 159.73 41.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.9 1.68 . . . . 0.0 110.973 167.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -66.09 154.37 39.78 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.55 0.74 . . . . 0.0 112.3 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.03 97.29 2.77 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.908 -1.12 . . . . 0.0 111.866 170.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -75.54 115.78 15.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.65 160.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 tp -71.13 -43.88 66.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 112.036 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.107 0.563 . . . . 0.0 112.297 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.42 -24.28 42.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.948 . . . . 0.0 113.304 171.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.2 -37.73 66.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.528 1.131 . . . . 0.0 110.856 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.59 -39.06 48.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.016 0.926 . . . . 0.0 112.128 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.33 -13.67 62.21 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.92 1.288 . . . . 0.0 113.976 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -102.14 -5.06 24.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.963 1.705 . . . . 0.0 113.503 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -122.42 -44.14 2.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.599 1.16 . . . . 0.0 113.25 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -58.89 -32.45 69.53 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.468 -1.395 . . . . 0.0 113.11 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -66.11 -15.59 63.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.035 2.134 . . . . 0.0 115.308 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.41 -8.61 26.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.068 1.747 . . . . 0.0 113.182 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 11.99 54.48 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.064 1.316 . . . . 0.0 115.466 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.77 175.99 9.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.801 1.8 . . . . 0.0 113.111 178.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.38 143.86 26.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.985 1.314 . . . . 0.0 111.424 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.22 130.92 10.48 Favored Glycine 0 N--CA 1.469 0.869 0 C-N-CA 123.823 0.725 . . . . 0.0 112.762 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -139.51 150.67 45.39 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 98.8 m -85.51 70.89 10.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.989 0.915 . . . . 0.0 110.808 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.68 134.58 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.966 1.306 . . . . 0.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 24.67 63.07 Favored Glycine 0 CA--C 1.542 1.736 0 O-C-N 120.727 -1.233 . . . . 0.0 112.995 -165.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 61.21 16.41 7.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.956 2.502 . . . . 0.0 115.371 -166.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -131.55 149.64 52.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.936 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.89 121.2 16.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.2 -1.562 . . . . 0.0 113.251 -167.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -141.26 178.3 7.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 128.895 2.878 . . . . 0.0 109.434 167.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.6 m -114.18 159.76 19.74 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.778 -1.201 . . . . 0.0 112.351 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 m -80.02 150.09 71.14 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 121.32 -0.862 . . . . 0.0 113.085 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.69 133.52 10.42 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.59 2.86 . . . . 0.0 113.04 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 126.662 1.985 . . . . 0.0 110.725 167.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.828 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -91.78 -37.08 13.18 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.85 4.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.0 t80 57.7 138.4 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 128.557 2.743 . . . . 0.0 115.367 -171.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.76 119.5 14.09 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.387 1.075 . . . . 0.0 112.596 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -87.93 37.44 0.8 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.064 1.746 . . . . 0.0 114.609 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.83 -36.05 78.11 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.354 -0.841 . . . . 0.0 112.496 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.91 44.92 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.71 -21.34 12.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.983 1.313 . . . . 0.0 112.62 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.99 -46.4 68.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.838 0.855 . . . . 0.0 111.078 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.74 -54.94 22.87 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.377 1.071 . . . . 0.0 111.699 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.01 -11.61 60.39 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.8 m -91.68 -40.25 11.39 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.066 0.946 . . . . 0.0 111.376 172.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.68 -37.19 86.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.158 0.983 . . . . 0.0 111.38 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -57.1 -30.79 64.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -58.1 -21.91 48.34 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.49 1.496 . . . . 0.0 114.27 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.94 -11.16 29.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.181 1.792 . . . . 0.0 112.843 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.52 9.63 59.98 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.097 1.332 . . . . 0.0 116.228 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.1 -165.9 1.42 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.345 1.458 . . . . 0.0 111.639 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.04 164.94 17.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.97 1.708 . . . . 0.0 112.015 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.18 148.72 21.58 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.316 0.96 . . . . 0.0 115.029 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -136.62 148.52 47.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.484 1.913 . . . . 0.0 111.427 164.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.65 129.25 37.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.085 0.954 . . . . 0.0 111.253 165.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.9 mt -132.82 120.53 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.941 1.296 . . . . 0.0 108.525 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.88 31.94 82.51 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.793 -0.567 . . . . 0.0 113.471 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 62.38 18.83 10.62 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.722 2.009 . . . . 0.0 115.154 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.51 156.25 42.48 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.709 -1.245 . . . . 0.0 111.559 174.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.72 131.22 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.499 1.52 . . . . 0.0 113.26 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -140.8 149.9 42.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 129.048 2.939 . . . . 0.0 108.963 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.2 m -98.13 154.33 17.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.181 -1.574 . . . . 0.0 113.7 -177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 m -85.37 158.13 58.03 Favored Pre-proline 0 N--CA 1.481 1.076 0 C-N-CA 124.861 1.265 . . . . 0.0 113.318 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -68.5 133.69 28.7 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.362 2.041 . . . . 0.0 110.706 163.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.952 1.301 . . . . 0.0 111.6 -178.185 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -53.98 -29.61 43.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 -175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.18 -8.48 29.93 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -140.15 82.59 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.362 2.265 . . . . 0.0 109.934 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.65 63.28 1.4 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.018 1.727 . . . . 0.0 108.633 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.83 121.12 15.32 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.065 0.946 . . . . 0.0 111.693 -164.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.43 -20.28 25.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.539 1.135 . . . . 0.0 113.498 -173.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -58.68 5.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.321 1.448 . . . . 0.0 114.241 -161.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.97 29.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.149 1.38 . . . . 0.0 112.704 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 t -67.68 -48.05 67.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.218 1.007 . . . . 0.0 109.921 173.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -39.89 74.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.562 0.745 . . . . 0.0 112.854 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.76 -42.72 99.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.222 0.609 . . . . 0.0 111.121 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 p -67.64 -19.76 65.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.031 0.932 . . . . 0.0 113.437 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -88.75 -35.97 16.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.272 1.029 . . . . 0.0 111.423 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -29.57 70.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.221 -1.55 . . . . 0.0 112.451 173.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -54.21 -16.27 2.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.747 1.619 . . . . 0.0 114.512 165.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.6 -9.3 12.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.08 1.752 . . . . 0.0 113.269 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.99 13.88 70.81 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.799 1.08 . . . . 0.0 115.799 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.54 -175.9 3.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.024 1.329 . . . . 0.0 112.489 173.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.62 140.1 32.54 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.679 1.592 . . . . 0.0 111.337 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.22 131.92 11.0 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 124.743 1.163 . . . . 0.0 111.443 168.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -139.81 160.21 40.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.357 1.463 . . . . 0.0 113.166 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.65 110.09 13.47 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.196 -0.94 . . . . 0.0 109.956 166.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -127.85 128.92 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.814 1.646 . . . . 0.0 108.656 -174.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.57 32.39 61.21 Favored Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.317 -0.864 . . . . 0.0 113.382 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 59.94 21.0 10.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.847 2.059 . . . . 0.0 115.907 -171.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -134.82 133.88 40.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.537 . . . . 0.0 110.524 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.47 119.54 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.705 -1.247 . . . . 0.0 111.983 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -153.88 178.92 9.38 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.445 2.298 . . . . 0.0 110.956 -176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -101.96 154.54 18.86 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.805 -1.185 . . . . 0.0 114.117 -175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m -91.57 163.11 29.6 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -85.17 -7.49 9.1 Favored 'Trans proline' 0 CA--C 1.547 1.153 0 C-N-CA 124.727 3.618 . . . . 0.0 114.902 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.314 1.445 . . . . 0.0 114.301 -176.306 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.823 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m 48.96 41.23 18.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.891 2.076 . . . . 0.0 114.613 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.1 47.4 1.23 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.627 1.171 . . . . 0.0 112.903 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -66.32 150.32 49.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.672 1.589 . . . . 0.0 113.32 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.18 119.27 37.21 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 114.462 -170.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -67.89 137.56 55.34 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.193 1.797 . . . . 0.0 110.816 168.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -48.88 -41.02 31.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.66 64.8 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.58 -21.98 18.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.087 . . . . 0.0 113.243 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 -29.0 16.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.083 0.953 . . . . 0.0 113.049 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.32 -26.42 52.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.56 -1.338 . . . . 0.0 111.96 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.43 -29.7 69.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.372 1.069 . . . . 0.0 113.024 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -103.48 -10.45 18.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.425 1.49 . . . . 0.0 114.422 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.11 -40.34 2.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.247 1.019 . . . . 0.0 113.105 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.65 -14.9 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.534 -1.354 . . . . 0.0 112.461 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 p -61.7 -19.17 62.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.106 1.763 . . . . 0.0 113.914 160.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.39 9.51 16.87 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.363 2.265 . . . . 0.0 110.943 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.81 64.94 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-O 117.118 -1.935 . . . . 0.0 116.916 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.05 6.97 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.853 2.326 . . . . 0.0 113.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.07 134.14 40.13 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -161.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.82 58.04 0.52 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.998 2.237 . . . . 0.0 115.055 169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 133.23 49.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.088 1.355 . . . . 0.0 112.172 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -132.61 112.85 12.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.507 1.523 . . . . 0.0 110.223 167.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.0 mt -133.46 133.2 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.496 1.518 . . . . 0.0 108.529 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.26 35.22 87.67 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 119.547 -0.585 . . . . 0.0 113.465 -175.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.06 33.79 19.44 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -137.69 130.76 30.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.635 -1.291 . . . . 0.0 113.395 165.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -73.93 110.34 8.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.719 1.208 . . . . 0.0 110.299 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -152.5 119.62 5.86 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.931 1.292 . . . . 0.0 110.094 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.72 175.62 5.54 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.655 0.741 . . . . 0.0 112.509 -168.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.24 157.89 70.15 Favored Pre-proline 0 N--CA 1.479 1.003 0 O-C-N 120.96 -1.087 . . . . 0.0 113.598 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.2 1.62 8.93 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.44 2.76 . . . . 0.0 115.092 -170.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.257 1.467 0 C-N-CA 125.38 1.472 . . . . 0.0 114.881 -174.4 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.93 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -142.27 -0.49 1.26 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.88 1.672 . . . . 0.0 115.191 -171.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.04 170.68 8.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.832 1.653 . . . . 0.0 112.751 -173.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.6 156.47 36.73 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.768 1.227 . . . . 0.0 111.839 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.41 146.99 50.0 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -80.9 79.97 7.46 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.297 -0.877 . . . . 0.0 108.745 160.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.02 -31.88 72.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.39 0.676 . . . . 0.0 111.979 -170.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -7.27 10.6 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 5.01 30.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.138 1.775 . . . . 0.0 113.765 171.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.03 -42.62 2.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.856 2.062 . . . . 0.0 112.755 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.72 -55.38 34.92 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.314 0.961 . . . . 0.0 113.4 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -64.45 -21.07 66.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.534 1.534 . . . . 0.0 113.954 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -83.07 -0.87 50.99 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.076 1.75 . . . . 0.0 111.994 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 -23.26 4.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.237 1.415 . . . . 0.0 113.069 166.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -66.17 -21.17 66.32 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.011 -1.681 . . . . 0.0 112.566 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 p -62.29 -13.8 32.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.935 1.694 . . . . 0.0 114.626 163.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.23 -12.89 18.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.66 1.984 . . . . 0.0 112.172 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 15.81 37.93 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 118.246 -1.308 . . . . 0.0 115.697 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.48 167.94 20.98 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.725 1.762 . . . . 0.0 113.849 173.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.83 121.41 28.44 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.572 -1.33 . . . . 0.0 112.034 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.8 119.49 5.73 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.804 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -132.27 94.52 3.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.513 1.125 . . . . 0.0 113.739 -173.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.5 p -96.33 154.96 16.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 113.527 173.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.74 -45.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.752 2.021 . . . . 0.0 111.064 168.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.18 34.31 4.89 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.958 1.742 . . . . 0.0 112.782 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 58.07 22.84 9.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.27 2.228 . . . . 0.0 115.561 -169.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.82 103.65 14.37 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.461 1.104 . . . . 0.0 111.281 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -81.8 55.71 2.81 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.63 1.172 . . . . 0.0 112.074 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.87 156.36 37.31 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.792 2.037 . . . . 0.0 109.821 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.2 m -131.53 153.1 50.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.777 0.799 . . . . 0.0 113.097 -172.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -92.79 173.86 4.59 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.524 1.53 . . . . 0.0 112.52 -170.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -73.46 4.09 4.22 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.702 2.268 . . . . 0.0 116.295 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.248 0.975 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 -164.179 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.865 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -128.42 46.46 2.59 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.272 1.429 . . . . 0.0 109.4 170.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.89 23.85 5.32 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.995 2.118 . . . . 0.0 116.643 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -87.75 147.1 25.35 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.798 1.181 . . . . 0.0 112.483 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -91.22 100.02 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.747 0.784 . . . . 0.0 112.919 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -69.25 120.92 15.82 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 159.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.61 -7.67 0.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.39 67.29 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -160.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.38 10.69 4.47 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.222 1.009 . . . . 0.0 113.107 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -71.56 -52.99 15.27 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.02 -1.05 . . . . 0.0 112.068 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.22 -39.81 94.75 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.719 0.808 . . . . 0.0 111.279 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -56.57 -43.98 80.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.433 1.093 . . . . 0.0 111.823 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 t -75.15 -50.38 16.47 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.63 1.172 . . . . 0.0 111.104 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.16 -43.91 92.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.779 0.832 . . . . 0.0 112.105 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -60.63 -32.04 71.21 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.7 -1.25 . . . . 0.0 112.593 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 m -73.9 -26.11 60.36 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.615 1.166 . . . . 0.0 113.089 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.1 -20.61 32.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.458 1.026 . . . . 0.0 112.827 169.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.09 11.27 9.13 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.172 1.844 . . . . 0.0 116.332 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -179.74 7.03 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.662 1.731 . . . . 0.0 114.634 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 tp -84.74 136.72 33.59 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.036 1.335 . . . . 0.0 112.128 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.92 102.7 2.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.883 0.754 . . . . 0.0 112.549 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -96.21 123.9 40.01 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.338 1.055 . . . . 0.0 111.996 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 p -92.1 135.26 34.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.226 1.01 . . . . 0.0 112.84 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -139.42 113.73 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 127.485 2.314 . . . . 0.0 109.309 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.46 45.53 75.9 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 114.922 163.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.284 2.0 mp0 68.09 15.5 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.281 2.232 . . . . 0.0 116.881 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.41 166.06 12.77 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.392 2.277 . . . . 0.0 111.099 162.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -150.02 101.03 2.99 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.419 1.087 . . . . 0.0 112.829 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -116.21 139.12 50.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.648 1.579 . . . . 0.0 110.407 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.43 152.6 34.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 m -101.64 161.74 22.59 Favored Pre-proline 0 N--CA 1.487 1.404 0 C-N-CA 124.6 1.16 . . . . 0.0 112.614 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -65.79 13.61 0.12 Allowed 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 124.167 3.245 . . . . 0.0 117.951 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.248 1.013 0 C-N-CA 126.048 1.739 . . . . 0.0 112.753 -158.647 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.212 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -159.27 141.39 13.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.018 0.909 . . . . 0.0 113.064 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.27 14.61 2.31 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.41 1.084 . . . . 0.0 113.618 172.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -141.12 160.98 38.95 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.016 2.126 . . . . 0.0 111.076 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t -82.38 158.63 23.26 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -78.09 45.89 0.56 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.933 1.293 . . . . 0.0 113.101 167.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.41 -37.07 69.67 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.303 1.041 . . . . 0.0 112.582 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -17.26 8.73 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.736 2.014 . . . . 0.0 115.884 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.55 -26.91 10.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.095 1.358 . . . . 0.0 112.807 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.99 -39.04 83.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.264 1.826 . . . . 0.0 111.747 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.62 -27.06 6.15 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.518 1.527 . . . . 0.0 113.083 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.0 -44.03 7.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.99 1.316 . . . . 0.0 111.471 -175.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.3 p -76.63 -30.3 56.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.701 0.682 . . . . 0.0 112.825 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -31.04 70.08 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.398 -0.814 . . . . 0.0 112.243 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.82 -17.6 64.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.934 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 m -67.49 -17.99 64.89 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.427 1.091 . . . . 0.0 113.864 166.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.8 mt -105.04 -10.69 17.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.736 1.614 . . . . 0.0 112.533 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.41 11.93 65.8 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.182 1.372 . . . . 0.0 114.414 -166.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.7 158.06 16.98 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.024 1.412 . . . . 0.0 111.557 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.06 140.23 29.85 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 109.259 168.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 118.95 11.12 Favored Glycine 0 N--CA 1.467 0.751 0 O-C-N 121.433 -0.792 . . . . 0.0 113.689 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -143.15 159.71 41.78 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.95 1.7 . . . . 0.0 109.724 167.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.68 160.07 21.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.114 1.366 . . . . 0.0 112.397 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mt -138.11 122.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.759 1.224 . . . . 0.0 108.877 166.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 35.1 78.51 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.861 0.743 . . . . 0.0 114.143 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 59.97 31.03 20.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.647 1.979 . . . . 0.0 114.791 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.89 148.37 48.57 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.548 1.939 . . . . 0.0 110.009 167.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.49 113.51 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.36 1.464 . . . . 0.0 112.189 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -148.09 112.83 5.39 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.454 2.302 . . . . 0.0 108.61 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 p -127.68 177.9 6.49 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -155.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.12 148.43 67.52 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 126.113 1.765 . . . . 0.0 114.021 -152.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.66 154.76 59.49 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.693 2.262 . . . . 0.0 111.796 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.6 p90 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.113 2.165 . . . . 0.0 111.293 175.09 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.241 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -89.52 -19.35 25.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.285 1.834 . . . . 0.0 113.334 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.56 179.09 9.44 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.893 2.477 . . . . 0.0 109.715 171.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -94.61 173.48 7.59 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.487 1.115 . . . . 0.0 113.264 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.6 t -95.29 136.12 36.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.155 0.982 . . . . 0.0 112.741 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -122.51 129.86 52.43 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.905 1.682 . . . . 0.0 108.18 161.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.65 -45.49 92.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.32 0.963 . . . . 0.0 111.245 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -1.88 6.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.423 1.489 . . . . 0.0 114.87 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.72 -37.09 4.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.198 1.399 . . . . 0.0 112.378 168.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.13 -33.72 50.28 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.656 1.183 . . . . 0.0 112.637 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.2 -38.73 27.0 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.639 0.775 . . . . 0.0 112.403 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.32 -36.42 83.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.458 1.503 . . . . 0.0 112.115 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -77.5 -7.63 56.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 113.003 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.31 -30.82 7.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.684 1.594 . . . . 0.0 112.715 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -52.91 -41.5 64.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.648 1.979 . . . . 0.0 111.315 168.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 p -67.31 -7.52 25.16 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.035 1.734 . . . . 0.0 114.808 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.75 -27.98 8.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.5 1.92 . . . . 0.0 112.43 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.93 12.37 16.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.328 1.442 . . . . 0.0 115.431 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -176.48 4.11 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.478 1.639 . . . . 0.0 112.568 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.6 mt -95.71 150.25 20.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.258 0.936 . . . . 0.0 112.817 -172.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.93 84.6 1.37 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 124.957 1.265 . . . . 0.0 112.592 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -98.32 88.26 4.11 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.214 1.007 . . . . 0.0 110.842 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.42 133.08 41.22 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.96 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.78 139.67 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.543 1.537 . . . . 0.0 108.826 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 40.89 99.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.894 0.759 . . . . 0.0 112.813 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 53.58 34.13 17.91 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 114.203 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -130.37 131.4 45.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.864 1.266 . . . . 0.0 110.508 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.9 t -76.15 110.49 10.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.728 0.775 . . . . 0.0 110.522 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.65 170.04 20.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.898 2.079 . . . . 0.0 111.089 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.41 179.61 4.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.76 1.224 . . . . 0.0 111.698 -167.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.64 148.97 80.48 Favored Pre-proline 0 N--CA 1.475 0.783 0 O-C-N 121.49 -0.756 . . . . 0.0 112.993 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.63 -2.65 12.81 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.734 2.956 . . . . 0.0 114.299 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 116.701 -1.619 . . . . 0.0 113.818 -169.09 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m 59.46 25.02 13.72 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.76 127.34 16.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 t80 63.61 162.49 0.11 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.205 3.002 . . . . 0.0 117.562 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.2 t -164.75 161.98 20.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.213 1.805 . . . . 0.0 111.986 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -110.07 114.4 27.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 109.089 156.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.3 -61.16 0.98 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.458 1.103 . . . . 0.0 111.844 -174.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.49 -11.55 60.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -29.54 13.86 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.055 0.942 . . . . 0.0 112.485 163.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.9 -43.46 71.71 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.371 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -45.79 -42.42 12.14 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.807 1.243 . . . . 0.0 112.349 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.05 -42.42 63.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.738 1.215 . . . . 0.0 110.999 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 m -69.08 -18.45 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.762 1.225 . . . . 0.0 112.826 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.69 -14.67 20.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.354 1.461 . . . . 0.0 114.495 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -33.47 74.8 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.519 -1.363 . . . . 0.0 114.596 -168.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -73.19 -12.32 60.83 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.67 0.56 57.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.803 0.841 . . . . 0.0 111.95 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.96 31.72 64.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.277 0.941 . . . . 0.0 114.605 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.74 -172.89 3.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.487 1.115 . . . . 0.0 113.064 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.29 145.58 24.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 111.51 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 121.62 6.84 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 167.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -146.25 135.67 22.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.813 1.245 . . . . 0.0 112.471 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -78.79 149.24 32.66 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.964 0.906 . . . . 0.0 113.22 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.34 -44.15 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.851 1.26 . . . . 0.0 111.816 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.77 56.23 0.68 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.294 1.902 . . . . 0.0 109.483 165.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.06 0.04 0.26 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.623 2.769 . . . . 0.0 117.044 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -102.05 150.5 23.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.394 1.877 . . . . 0.0 111.502 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.11 126.09 26.09 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.529 1.157 . . . . 0.0 113.704 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -139.62 159.96 40.95 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 129.2 3.0 . . . . 0.0 108.419 162.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -106.89 155.42 19.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.151 0.581 . . . . 0.0 111.851 169.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -66.12 147.05 99.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -168.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -93.58 3.98 3.11 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.463 2.775 . . . . 0.0 115.023 -159.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.26 1.657 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -171.53 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 63.78 -30.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.235 2.68 . . . . 0.0 118.235 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.38 26.22 1.49 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.545 1.52 . . . . 0.0 114.89 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -144.17 139.51 28.81 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.103 1.361 . . . . 0.0 110.715 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.9 162.82 40.92 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.867 2.067 . . . . 0.0 109.484 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -74.68 60.37 0.91 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.595 -1.316 . . . . 0.0 110.438 164.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.88 -45.27 93.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.733 1.213 . . . . 0.0 111.313 -163.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.0 61.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.821 1.248 . . . . 0.0 114.292 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.6 -37.07 10.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.919 1.288 . . . . 0.0 112.879 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.41 -33.86 65.18 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.016 -1.052 . . . . 0.0 112.408 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.02 -20.27 56.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.583 1.153 . . . . 0.0 113.361 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.84 -44.99 46.19 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.27 -0.894 . . . . 0.0 111.396 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -72.81 -42.86 63.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.943 0.897 . . . . 0.0 111.644 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.42 -29.94 64.17 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -30.14 71.14 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 112.249 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -71.62 -7.67 49.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.035 1.334 . . . . 0.0 113.629 171.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -104.57 5.22 33.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.249 1.82 . . . . 0.0 112.355 166.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.62 89.36 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 116.685 -2.175 . . . . 0.0 116.257 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.37 -176.35 3.79 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 121.052 2.426 . . . . 0.0 115.579 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.54 137.69 33.74 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.616 1.566 . . . . 0.0 109.984 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.47 98.59 1.89 Allowed Glycine 0 N--CA 1.465 0.58 0 C-N-CA 124.155 0.883 . . . . 0.0 112.145 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -131.81 122.81 26.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.291 1.036 . . . . 0.0 110.509 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.0 p -111.88 157.82 20.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -119.44 -30.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.833 1.253 . . . . 0.0 112.963 -157.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.49 28.44 4.49 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.779 1.657 . . . . 0.0 113.666 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 55.58 41.35 30.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.152 1.781 . . . . 0.0 113.481 -170.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -140.43 114.03 8.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.693 1.197 . . . . 0.0 108.618 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.7 t -54.17 126.55 23.31 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 122.768 1.27 . . . . 0.0 114.232 -157.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.31 157.06 46.55 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 128.602 2.761 . . . . 0.0 110.001 -171.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -116.25 169.36 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.401 1.08 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.79 150.51 96.55 Favored Pre-proline 0 N--CA 1.477 0.896 0 O-C-N 120.784 -1.197 . . . . 0.0 113.439 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -83.34 -17.21 6.61 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.79 2.993 . . . . 0.0 113.736 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 p90 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.114 1.765 . . . . 0.0 113.401 -176.696 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.914 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 p -82.74 -26.56 31.81 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -170.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.19 137.04 16.19 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.313 1.445 . . . . 0.0 112.277 -175.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -59.96 150.21 29.59 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.0 t -72.96 128.69 36.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.899 1.68 . . . . 0.0 114.175 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -142.08 91.0 2.3 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.757 2.023 . . . . 0.0 109.545 167.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.21 -38.93 92.8 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.987 -1.071 . . . . 0.0 112.709 -167.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.21 -12.31 61.56 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.76 -30.84 11.85 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.55 1.14 . . . . 0.0 112.153 167.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.27 -40.9 74.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.542 1.537 . . . . 0.0 112.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.23 -41.26 65.22 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 111.056 169.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.64 -30.57 69.31 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.829 0.851 . . . . 0.0 112.528 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.9 m -76.84 -44.13 33.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.1 m -74.78 -36.21 62.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 113.334 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -32.12 72.66 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.509 -1.369 . . . . 0.0 112.78 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -62.89 -16.07 57.45 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.64 -15.23 24.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.181 1.392 . . . . 0.0 112.483 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.87 7.32 29.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.575 1.559 . . . . 0.0 116.741 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.95 -175.08 3.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.27 1.535 . . . . 0.0 114.05 -174.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.72 144.49 25.68 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.398 1.079 . . . . 0.0 111.257 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.1 132.52 11.05 Favored Glycine 0 N--CA 1.465 0.579 0 C-N-CA 124.382 0.991 . . . . 0.0 113.175 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.53 162.1 32.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 174.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.15 98.91 12.03 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.153 -0.967 . . . . 0.0 110.773 169.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.1 mm -117.38 119.63 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.964 1.706 . . . . 0.0 109.973 -173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.17 37.53 94.67 Favored Glycine 0 CA--C 1.534 1.253 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -161.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.401 0.3 OUTLIER 47.76 33.65 3.31 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.876 2.47 . . . . 0.0 116.502 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -136.8 160.57 38.46 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.209 1.804 . . . . 0.0 112.024 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.44 116.1 6.38 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.703 -0.623 . . . . 0.0 112.559 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -143.08 153.59 43.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.571 2.349 . . . . 0.0 109.925 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -106.21 157.07 17.84 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.995 -1.065 . . . . 0.0 113.253 -171.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.17 149.85 53.63 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -164.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -84.7 41.15 0.93 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.742 4.295 . . . . 0.0 112.265 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.7 t80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 128.145 2.578 . . . . 0.0 110.315 -173.379 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.05 -35.78 73.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.565 0.746 . . . . 0.0 111.745 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.81 -22.13 66.54 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.41 31.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.661 1.184 . . . . 0.0 113.259 170.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.69 -46.69 12.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.232 1.013 . . . . 0.0 111.273 172.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.08 -39.45 66.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.523 1.529 . . . . 0.0 112.675 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.51 -4.7 12.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.8 p -103.0 1.43 33.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.98 1.712 . . . . 0.0 114.16 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.03 -45.08 0.85 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.653 1.581 . . . . 0.0 112.868 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -60.83 -31.5 70.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.642 1.577 . . . . 0.0 114.324 -167.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 m -80.54 -5.28 56.5 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.68 -2.54 38.06 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.132 1.773 . . . . 0.0 112.599 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.17 22.95 62.11 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 118.763 -1.021 . . . . 0.0 115.014 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.63 171.05 15.02 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.141 1.471 . . . . 0.0 113.27 168.535 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 tp -90.18 136.65 32.92 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.423 1.889 . . . . 0.0 111.402 -174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 133.42 26.25 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.637 0.637 . . . . 0.0 113.586 166.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -123.79 133.37 53.83 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.229 1.812 . . . . 0.0 111.543 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.67 129.36 36.72 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.423 1.106 . . . . 0.0 113.223 168.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.7 mt -137.27 127.84 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.082 1.753 . . . . 0.0 107.921 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.67 37.92 95.04 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.956 0.789 . . . . 0.0 113.945 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.259 4.5 mp0 56.18 21.96 5.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.626 2.371 . . . . 0.0 115.484 -170.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.22 108.34 19.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.952 1.301 . . . . 0.0 110.283 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -89.24 125.9 35.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.666 1.186 . . . . 0.0 112.493 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -138.03 -179.55 5.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 129.221 3.009 . . . . 0.0 109.483 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.7 m -114.56 158.29 21.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.002 -1.061 . . . . 0.0 111.393 165.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.482 1.135 0 C-N-CA 123.702 0.801 . . . . 0.0 112.813 -179.568 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 120.58 0.229 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.57 -36.44 83.82 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.781 -0.574 . . . . 0.0 112.049 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.65 -17.6 63.51 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.496 1.118 . . . . 0.0 113.283 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.77 -3.61 57.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.035 0.934 . . . . 0.0 112.644 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.7 t -123.38 -57.4 1.67 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.57 -40.71 88.25 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.699 -1.251 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.33 -10.8 57.45 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.38 -25.23 23.94 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.216 1.371 . . . . 0.0 113.125 166.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.75 -40.54 7.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.485 1.114 . . . . 0.0 113.503 -169.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -62.61 -33.41 74.94 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -165.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -71.09 -2.07 14.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 173.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -98.14 -8.92 26.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.268 1.427 . . . . 0.0 112.628 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.87 71.64 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.299 -1.279 . . . . 0.0 115.621 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -120.62 168.09 11.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.833 1.817 . . . . 0.0 113.05 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -92.68 143.94 25.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.609 1.164 . . . . 0.0 111.256 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.49 117.52 5.46 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 125.017 1.294 . . . . 0.0 112.402 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -138.69 174.53 10.43 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.02 1.728 . . . . 0.0 112.274 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -160.29 154.39 23.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.199 1.4 . . . . 0.0 112.543 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mm -126.95 -37.96 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.626 1.57 . . . . 0.0 112.498 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 30.35 10.3 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.775 1.655 . . . . 0.0 111.802 172.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 52.81 35.78 19.69 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -124.59 128.17 48.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.977 1.311 . . . . 0.0 109.192 166.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.09 116.11 17.45 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.337 -0.852 . . . . 0.0 112.188 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -136.23 119.63 16.88 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.45 1.9 . . . . 0.0 109.832 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.57 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.4 m -75.08 151.12 38.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -171.443 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.391 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.22 -27.54 65.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 113.038 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.53 65.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.931 1.293 . . . . 0.0 114.335 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.41 -26.47 14.84 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.705 1.202 . . . . 0.0 112.118 170.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -71.31 -50.69 29.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.195 0.998 . . . . 0.0 113.253 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.93 -40.16 87.53 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.108 0.867 . . . . 0.0 112.047 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.25 -11.49 50.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -95.1 -6.13 42.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.215 1.406 . . . . 0.0 113.28 170.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.6 m -115.7 -46.91 2.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.876 1.67 . . . . 0.0 112.647 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -65.14 -23.77 67.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.372 -1.455 . . . . 0.0 114.504 -169.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -60.55 -30.27 69.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.782 0.833 . . . . 0.0 112.84 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.73 -6.27 57.54 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.443 1.897 . . . . 0.0 112.832 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.51 20.27 74.78 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.569 -1.128 . . . . 0.0 115.085 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -121.81 171.06 9.17 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.244 1.522 . . . . 0.0 113.268 169.453 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 tp -89.19 133.93 34.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.56 2.344 . . . . 0.0 110.55 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.4 121.3 5.37 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.376 0.988 . . . . 0.0 111.974 165.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -119.19 132.05 55.91 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.088 0.955 . . . . 0.0 113.498 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.5 m -84.19 132.8 34.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 112.621 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -137.25 126.14 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.757 2.023 . . . . 0.0 108.709 171.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.72 33.11 66.7 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.648 -0.657 . . . . 0.0 113.456 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.26 30.3 mt-10 62.89 6.69 2.27 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.864 2.065 . . . . 0.0 116.294 -175.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -91.47 165.9 13.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.798 1.639 . . . . 0.0 109.77 156.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -139.21 137.97 36.46 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.636 -1.29 . . . . 0.0 113.485 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -149.68 147.44 28.08 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.482 2.313 . . . . 0.0 109.205 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.2 m -73.11 166.04 23.87 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.743 1.61 . . . . 0.0 112.66 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.822 1.249 . . . . 0.0 112.844 176.587 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 tp -149.62 -22.54 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -171.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.93 79.76 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -164.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.52 -7.08 42.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.605 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.36 -52.65 44.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.24 1.416 . . . . 0.0 109.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.12 -45.43 61.58 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.857 0.863 . . . . 0.0 112.42 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.99 -26.62 68.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.102 0.961 . . . . 0.0 112.623 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 m -93.03 -30.62 15.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.325 1.85 . . . . 0.0 112.596 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -63.88 -24.39 67.72 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.111 -0.993 . . . . 0.0 112.325 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -46.24 72.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.198 1.399 . . . . 0.0 113.084 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -76.74 -2.11 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.76 -20.32 20.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.761 1.225 . . . . 0.0 112.32 163.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.66 77.58 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.0 1.286 . . . . 0.0 114.005 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -103.44 157.66 16.88 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.627 1.171 . . . . 0.0 110.228 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.92 145.81 35.92 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 107.397 161.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.1 116.16 4.7 Favored Glycine 0 N--CA 1.467 0.755 0 O-C-N 120.595 -1.316 . . . . 0.0 111.893 168.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -140.29 119.27 12.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.871 0.869 . . . . 0.0 110.225 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 p -77.75 149.07 34.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.655 1.582 . . . . 0.0 113.679 -168.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.9 mm -135.53 131.32 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.042 1.737 . . . . 0.0 109.498 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.23 28.79 67.37 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.824 -0.547 . . . . 0.0 113.196 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.273 17.3 mt-10 58.2 13.11 2.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.817 2.847 . . . . 0.0 115.814 -169.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.82 158.02 16.43 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.383 2.273 . . . . 0.0 111.509 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -63.38 122.62 16.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.09 0.956 . . . . 0.0 111.683 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -148.77 166.82 27.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.669 2.787 . . . . 0.0 110.09 171.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.489 ' HB2' HD23 ' A' ' 19' ' ' LEU . 12.5 m -131.37 160.79 34.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.558 1.143 . . . . 0.0 111.482 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 127.501 2.32 . . . . 0.0 112.161 -170.018 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.9 tp -79.07 -34.04 44.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.12 0.418 . . . . 0.0 112.091 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.09 95.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.536 -0.727 . . . . 0.0 111.391 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.4 38.16 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.741 -1.224 . . . . 0.0 113.96 173.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.59 -40.2 11.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.498 1.519 . . . . 0.0 110.996 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.5 -42.0 81.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.538 -1.351 . . . . 0.0 111.187 164.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.05 -16.35 51.31 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.659 -1.276 . . . . 0.0 113.636 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -97.65 -27.15 14.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 113.781 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.5 m -108.74 -42.93 4.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 114.654 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.69 -31.33 70.59 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.358 1.463 . . . . 0.0 114.263 -165.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -61.78 -19.84 62.94 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 114.233 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.6 -5.93 55.27 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.834 1.654 . . . . 0.0 112.757 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.52 10.65 83.11 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.541 -1.144 . . . . 0.0 115.266 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.97 170.47 8.32 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.102 1.451 . . . . 0.0 112.732 170.299 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.0 tp -87.13 134.95 33.46 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.234 1.814 . . . . 0.0 110.554 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.23 132.97 13.28 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.135 0.398 . . . . 0.0 112.563 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -134.36 148.97 50.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.553 1.541 . . . . 0.0 109.101 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.36 118.95 27.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.751 1.159 . . . . 0.0 112.911 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -137.17 131.76 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.557 1.543 . . . . 0.0 109.445 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 33.46 85.82 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 121.801 -0.562 . . . . 0.0 112.448 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.66 14.86 8.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.825 2.05 . . . . 0.0 115.597 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.25 136.48 53.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.922 1.289 . . . . 0.0 112.754 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.85 121.4 17.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 110.671 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -139.83 105.68 5.17 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.388 2.675 . . . . 0.0 108.607 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.9 m -68.75 156.22 38.71 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.149 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.476 0.851 0 O-C-N 121.191 -0.943 . . . . 0.0 111.663 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -70.21 -33.57 71.85 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.436 0.694 . . . . 0.0 111.824 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.95 83.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.74 0.816 . . . . 0.0 112.627 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.73 62.53 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.314 1.046 . . . . 0.0 113.48 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -94.21 -42.19 9.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.184 1.394 . . . . 0.0 112.342 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -40.61 58.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.703 1.601 . . . . 0.0 113.763 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -12.17 55.08 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 p -90.33 -7.81 52.37 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.007 1.323 . . . . 0.0 113.384 171.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.05 -34.31 5.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.211 1.805 . . . . 0.0 112.51 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.6 -27.05 68.93 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.762 1.225 . . . . 0.0 114.187 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 p -69.63 -14.05 62.62 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.877 1.671 . . . . 0.0 114.032 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.76 0.78 22.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.982 1.713 . . . . 0.0 112.944 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.85 -17.83 53.36 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.76 1.647 . . . . 0.0 115.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 176.0 5.3 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.073 1.436 . . . . 0.0 113.518 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 mt -91.86 155.43 18.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.389 1.476 . . . . 0.0 111.59 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 148.73 49.54 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.992 -0.442 . . . . 0.0 113.363 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.17 130.05 38.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.068 1.747 . . . . 0.0 109.751 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -159.51 121.48 3.37 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -136.22 135.14 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 127.332 2.253 . . . . 0.0 108.113 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.43 34.01 73.44 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 113.752 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 58.11 5.46 0.4 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.563 2.345 . . . . 0.0 116.668 -171.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -89.52 108.42 19.65 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.825 -1.172 . . . . 0.0 112.403 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.02 122.61 29.02 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.44 1.114 . . . . 0.0 113.326 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -135.11 179.29 6.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.891 3.276 . . . . 0.0 109.388 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 m -120.65 160.15 23.86 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.042 -1.037 . . . . 0.0 111.206 167.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.476 0.859 0 O-C-N 121.577 -0.702 . . . . 0.0 112.172 -178.793 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.4 tp -114.68 -49.48 2.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.684 1.193 . . . . 0.0 113.131 -168.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.28 66.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.496 0.719 . . . . 0.0 112.634 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.93 61.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.541 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -84.33 -44.38 13.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.331 1.053 . . . . 0.0 110.216 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.9 -23.55 67.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.727 -1.233 . . . . 0.0 112.736 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.88 -2.28 56.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.511 1.524 . . . . 0.0 114.185 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -133.92 22.93 3.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.326 1.051 . . . . 0.0 113.584 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -130.65 -32.97 1.66 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -72.93 -24.11 60.78 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.981 1.719 . . . . 0.0 112.927 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -54.54 -33.05 59.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.587 1.155 . . . . 0.0 112.551 162.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.74 -9.58 34.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.089 2.155 . . . . 0.0 113.258 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.7 61.4 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.528 2.013 . . . . 0.0 116.409 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.69 157.82 18.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.942 1.871 . . . . 0.0 112.718 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.62 128.73 33.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.786 1.234 . . . . 0.0 110.193 164.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 114.69 6.88 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.331 0.967 . . . . 0.0 113.725 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -150.46 164.04 36.9 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.497 2.319 . . . . 0.0 111.647 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.3 177.95 4.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.75 1.62 . . . . 0.0 112.053 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -94.1 -46.6 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.107 -0.996 . . . . 0.0 110.247 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.91 11.53 0.06 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.457 1.503 . . . . 0.0 114.468 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.33 -58.13 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.689 1.596 . . . . 0.0 111.358 -160.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.12 166.23 32.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.17 110.56 1.65 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.916 1.686 . . . . 0.0 111.716 -171.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -147.54 81.19 1.51 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.442 3.097 . . . . 0.0 106.728 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.94 170.46 10.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.686 1.594 . . . . 0.0 114.344 -162.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -149.682 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.4 t30 . . . . . 0 C--O 1.237 0.416 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.61 -39.4 76.78 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.465 1.106 . . . . 0.0 112.182 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.24 13.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.129 1.772 . . . . 0.0 114.925 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.81 -10.48 14.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.288 1.435 . . . . 0.0 113.438 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.39 -40.82 12.48 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.203 1.401 . . . . 0.0 111.837 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.56 -44.21 72.71 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.103 -0.998 . . . . 0.0 110.354 164.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.33 -2.33 13.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.594 1.157 . . . . 0.0 113.974 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -113.18 -0.76 14.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.527 1.931 . . . . 0.0 113.631 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.59 -48.35 1.93 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 111.297 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -72.19 -14.57 61.84 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.717 -1.239 . . . . 0.0 114.016 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.2 p -65.84 -22.6 66.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.505 1.522 . . . . 0.0 113.437 165.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.8 -18.34 23.01 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.418 1.487 . . . . 0.0 112.717 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 0.75 32.67 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.413 1.959 . . . . 0.0 115.934 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.17 161.12 18.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.465 1.632 . . . . 0.0 113.292 175.668 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.41 135.29 36.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.134 1.374 . . . . 0.0 110.779 -173.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.39 131.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.663 0.649 . . . . 0.0 113.764 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.52 152.81 52.03 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.657 1.583 . . . . 0.0 112.73 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.6 m -97.82 66.27 1.89 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.683 1.593 . . . . 0.0 111.355 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 127.21 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.474 1.11 . . . . 0.0 109.998 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 29.8 75.69 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.672 -0.642 . . . . 0.0 112.775 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 52.35 35.58 17.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.687 1.995 . . . . 0.0 113.267 -168.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' ' HE3' ' A' ' 29' ' ' LYS . 61.1 tt0 -141.51 141.89 33.59 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.256 1.422 . . . . 0.0 109.948 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.3 t -73.7 106.39 5.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.626 -1.296 . . . . 0.0 111.568 -170.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 27' ' ' GLU . 89.2 mttt -138.72 106.37 5.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.329 1.852 . . . . 0.0 108.999 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.4 m -72.38 159.66 33.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.324 0.65 . . . . 0.0 112.414 -170.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.476 0.838 0 O-C-N 121.463 -0.773 . . . . 0.0 113.007 -174.193 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t30 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.16 -43.83 78.72 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.85 10.14 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.449 1.9 . . . . 0.0 114.627 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.4 -25.78 3.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.413 1.485 . . . . 0.0 111.98 162.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -73.64 -45.45 52.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.708 1.203 . . . . 0.0 111.973 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.63 -43.49 72.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.487 0.715 . . . . 0.0 110.546 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.46 -9.2 58.25 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.89 1.676 . . . . 0.0 113.78 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -104.5 -7.2 19.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.675 1.99 . . . . 0.0 112.867 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.5 m -117.31 -38.41 3.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.271 1.428 . . . . 0.0 114.039 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.7 -20.32 65.95 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.9 p -64.85 -20.2 66.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.436 1.016 . . . . 0.0 113.581 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -87.57 -10.06 52.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.031 1.332 . . . . 0.0 113.264 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.55 -6.54 77.63 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.827 1.679 . . . . 0.0 115.507 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -103.01 174.93 5.65 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.744 1.272 . . . . 0.0 111.177 172.316 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -104.18 152.73 21.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.221 1.008 . . . . 0.0 111.264 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.72 100.99 2.04 Favored Glycine 0 N--CA 1.466 0.678 0 C-N-CA 124.603 1.097 . . . . 0.0 112.41 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -129.1 123.31 31.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.879 1.272 . . . . 0.0 109.815 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.37 155.71 34.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.857 1.263 . . . . 0.0 113.495 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.64 133.51 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.591 1.556 . . . . 0.0 108.118 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.48 92.09 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 121.9 -0.5 . . . . 0.0 113.733 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 65.93 17.72 10.89 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.454 1.902 . . . . 0.0 115.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.05 158.74 42.79 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.804 1.241 . . . . 0.0 112.089 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.49 124.79 24.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.929 -1.107 . . . . 0.0 113.249 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.64 155.61 44.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.079 2.552 . . . . 0.0 109.382 166.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.6 m -93.59 165.61 12.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.65 -0.656 . . . . 0.0 111.644 168.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 124.564 1.146 . . . . 0.0 113.988 -177.025 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 tp -71.13 -43.88 66.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 112.036 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.107 0.563 . . . . 0.0 112.297 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.42 -24.28 42.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.948 . . . . 0.0 113.304 171.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.2 -37.73 66.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.528 1.131 . . . . 0.0 110.856 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.59 -39.06 48.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.016 0.926 . . . . 0.0 112.128 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.33 -13.67 62.21 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.92 1.288 . . . . 0.0 113.976 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -102.14 -5.06 24.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.963 1.705 . . . . 0.0 113.503 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -122.42 -44.14 2.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.599 1.16 . . . . 0.0 113.25 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -58.89 -32.45 69.53 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.468 -1.395 . . . . 0.0 113.11 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -66.11 -15.59 63.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.035 2.134 . . . . 0.0 115.308 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.41 -8.61 26.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.068 1.747 . . . . 0.0 113.182 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 11.99 54.48 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.064 1.316 . . . . 0.0 115.466 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.77 175.99 9.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.801 1.8 . . . . 0.0 113.111 178.277 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.38 143.86 26.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.985 1.314 . . . . 0.0 111.424 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.22 130.92 10.48 Favored Glycine 0 N--CA 1.469 0.869 0 C-N-CA 123.823 0.725 . . . . 0.0 112.762 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -139.51 150.67 45.39 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 98.8 m -85.51 70.89 10.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.989 0.915 . . . . 0.0 110.808 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.68 134.58 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.966 1.306 . . . . 0.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 24.67 63.07 Favored Glycine 0 CA--C 1.542 1.736 0 O-C-N 120.727 -1.233 . . . . 0.0 112.995 -165.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 61.21 16.41 7.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.956 2.502 . . . . 0.0 115.371 -166.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -131.55 149.64 52.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.936 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.89 121.2 16.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.2 -1.562 . . . . 0.0 113.251 -167.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -141.26 178.3 7.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 128.895 2.878 . . . . 0.0 109.434 167.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 5.6 m -114.18 159.76 19.74 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.778 -1.201 . . . . 0.0 112.351 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.484 1.233 0 O-C-N 121.32 -0.862 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.83 -36.05 78.11 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.354 -0.841 . . . . 0.0 112.496 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.91 44.92 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.71 -21.34 12.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.983 1.313 . . . . 0.0 112.62 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.99 -46.4 68.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.838 0.855 . . . . 0.0 111.078 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.74 -54.94 22.87 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.377 1.071 . . . . 0.0 111.699 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.01 -11.61 60.39 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.8 m -91.68 -40.25 11.39 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.066 0.946 . . . . 0.0 111.376 172.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.68 -37.19 86.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.158 0.983 . . . . 0.0 111.38 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -57.1 -30.79 64.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -58.1 -21.91 48.34 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.49 1.496 . . . . 0.0 114.27 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.94 -11.16 29.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.181 1.792 . . . . 0.0 112.843 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.52 9.63 59.98 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.097 1.332 . . . . 0.0 116.228 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -124.1 -165.9 1.42 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.345 1.458 . . . . 0.0 111.639 177.519 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.04 164.94 17.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.97 1.708 . . . . 0.0 112.015 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.18 148.72 21.58 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.316 0.96 . . . . 0.0 115.029 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -136.62 148.52 47.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.484 1.913 . . . . 0.0 111.427 164.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.65 129.25 37.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.085 0.954 . . . . 0.0 111.253 165.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.9 mt -132.82 120.53 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.941 1.296 . . . . 0.0 108.525 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.88 31.94 82.51 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.793 -0.567 . . . . 0.0 113.471 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 62.38 18.83 10.62 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.722 2.009 . . . . 0.0 115.154 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.51 156.25 42.48 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.709 -1.245 . . . . 0.0 111.559 174.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.72 131.22 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.499 1.52 . . . . 0.0 113.26 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -140.8 149.9 42.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 129.048 2.939 . . . . 0.0 108.963 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 52.2 m -98.13 154.33 17.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.181 -1.574 . . . . 0.0 113.7 -177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 124.861 1.265 . . . . 0.0 113.318 -178.705 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.5 t30 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.959 0.409 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.43 -20.28 25.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.539 1.135 . . . . 0.0 113.498 -173.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -58.68 5.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.321 1.448 . . . . 0.0 114.241 -161.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.97 29.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.149 1.38 . . . . 0.0 112.704 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 t -67.68 -48.05 67.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.218 1.007 . . . . 0.0 109.921 173.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -39.89 74.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.562 0.745 . . . . 0.0 112.854 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.76 -42.72 99.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.222 0.609 . . . . 0.0 111.121 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 p -67.64 -19.76 65.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.031 0.932 . . . . 0.0 113.437 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -88.75 -35.97 16.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.272 1.029 . . . . 0.0 111.423 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -29.57 70.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.221 -1.55 . . . . 0.0 112.451 173.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -54.21 -16.27 2.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.747 1.619 . . . . 0.0 114.512 165.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.6 -9.3 12.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.08 1.752 . . . . 0.0 113.269 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.99 13.88 70.81 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.799 1.08 . . . . 0.0 115.799 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -123.54 -175.9 3.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.024 1.329 . . . . 0.0 112.489 173.197 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.62 140.1 32.54 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.679 1.592 . . . . 0.0 111.337 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.22 131.92 11.0 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 124.743 1.163 . . . . 0.0 111.443 168.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -139.81 160.21 40.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.357 1.463 . . . . 0.0 113.166 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.65 110.09 13.47 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.196 -0.94 . . . . 0.0 109.956 166.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -127.85 128.92 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.814 1.646 . . . . 0.0 108.656 -174.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.57 32.39 61.21 Favored Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.317 -0.864 . . . . 0.0 113.382 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 59.94 21.0 10.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.847 2.059 . . . . 0.0 115.907 -171.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -134.82 133.88 40.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.537 . . . . 0.0 110.524 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.47 119.54 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.705 -1.247 . . . . 0.0 111.983 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -153.88 178.92 9.38 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.445 2.298 . . . . 0.0 110.956 -176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 3.2 m -101.96 154.54 18.86 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.805 -1.185 . . . . 0.0 114.117 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.715 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -48.88 -41.02 31.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.66 64.8 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.58 -21.98 18.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.087 . . . . 0.0 113.243 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 -29.0 16.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.083 0.953 . . . . 0.0 113.049 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.32 -26.42 52.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.56 -1.338 . . . . 0.0 111.96 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.43 -29.7 69.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.372 1.069 . . . . 0.0 113.024 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -103.48 -10.45 18.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.425 1.49 . . . . 0.0 114.422 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.11 -40.34 2.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.247 1.019 . . . . 0.0 113.105 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.65 -14.9 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.534 -1.354 . . . . 0.0 112.461 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 p -61.7 -19.17 62.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.106 1.763 . . . . 0.0 113.914 160.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.39 9.51 16.87 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.363 2.265 . . . . 0.0 110.943 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.81 64.94 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-O 117.118 -1.935 . . . . 0.0 116.916 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.05 6.97 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.853 2.326 . . . . 0.0 113.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.07 134.14 40.13 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -161.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.82 58.04 0.52 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.998 2.237 . . . . 0.0 115.055 169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 133.23 49.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.088 1.355 . . . . 0.0 112.172 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -132.61 112.85 12.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.507 1.523 . . . . 0.0 110.223 167.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.0 mt -133.46 133.2 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.496 1.518 . . . . 0.0 108.529 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.26 35.22 87.67 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 119.547 -0.585 . . . . 0.0 113.465 -175.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.06 33.79 19.44 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -137.69 130.76 30.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.635 -1.291 . . . . 0.0 113.395 165.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -73.93 110.34 8.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.719 1.208 . . . . 0.0 110.299 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -152.5 119.62 5.86 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.931 1.292 . . . . 0.0 110.094 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.72 175.62 5.54 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.655 0.741 . . . . 0.0 112.509 -168.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.479 1.003 0 O-C-N 120.96 -1.087 . . . . 0.0 113.598 -174.136 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.4 t30 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.02 -31.88 72.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.39 0.676 . . . . 0.0 111.979 -170.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -7.27 10.6 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 5.01 30.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.138 1.775 . . . . 0.0 113.765 171.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.03 -42.62 2.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.856 2.062 . . . . 0.0 112.755 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.72 -55.38 34.92 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.314 0.961 . . . . 0.0 113.4 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -64.45 -21.07 66.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.534 1.534 . . . . 0.0 113.954 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -83.07 -0.87 50.99 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.076 1.75 . . . . 0.0 111.994 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 -23.26 4.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.237 1.415 . . . . 0.0 113.069 166.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -66.17 -21.17 66.32 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.011 -1.681 . . . . 0.0 112.566 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 p -62.29 -13.8 32.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.935 1.694 . . . . 0.0 114.626 163.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.23 -12.89 18.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.66 1.984 . . . . 0.0 112.172 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 15.81 37.93 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 118.246 -1.308 . . . . 0.0 115.697 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -140.48 167.94 20.98 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.725 1.762 . . . . 0.0 113.849 173.74 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.83 121.41 28.44 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.572 -1.33 . . . . 0.0 112.034 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.8 119.49 5.73 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.804 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -132.27 94.52 3.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.513 1.125 . . . . 0.0 113.739 -173.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.5 p -96.33 154.96 16.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 113.527 173.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.74 -45.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.752 2.021 . . . . 0.0 111.064 168.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.18 34.31 4.89 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.958 1.742 . . . . 0.0 112.782 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 58.07 22.84 9.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.27 2.228 . . . . 0.0 115.561 -169.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.82 103.65 14.37 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.461 1.104 . . . . 0.0 111.281 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -81.8 55.71 2.81 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.63 1.172 . . . . 0.0 112.074 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.87 156.36 37.31 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.792 2.037 . . . . 0.0 109.821 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HB3' HD23 ' A' ' 19' ' ' LEU . 8.2 m -131.53 153.1 50.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.777 0.799 . . . . 0.0 113.097 -172.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 125.524 1.53 . . . . 0.0 112.52 -170.501 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.61 -7.67 0.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.39 67.29 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -160.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.38 10.69 4.47 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.222 1.009 . . . . 0.0 113.107 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -71.56 -52.99 15.27 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.02 -1.05 . . . . 0.0 112.068 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.22 -39.81 94.75 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.719 0.808 . . . . 0.0 111.279 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -56.57 -43.98 80.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.433 1.093 . . . . 0.0 111.823 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 t -75.15 -50.38 16.47 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.63 1.172 . . . . 0.0 111.104 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.16 -43.91 92.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.779 0.832 . . . . 0.0 112.105 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -60.63 -32.04 71.21 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.7 -1.25 . . . . 0.0 112.593 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 m -73.9 -26.11 60.36 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.615 1.166 . . . . 0.0 113.089 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.1 -20.61 32.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.458 1.026 . . . . 0.0 112.827 169.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.09 11.27 9.13 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.172 1.844 . . . . 0.0 116.332 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -179.74 7.03 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.662 1.731 . . . . 0.0 114.634 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 tp -84.74 136.72 33.59 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.036 1.335 . . . . 0.0 112.128 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.92 102.7 2.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.883 0.754 . . . . 0.0 112.549 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -96.21 123.9 40.01 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.338 1.055 . . . . 0.0 111.996 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 p -92.1 135.26 34.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.226 1.01 . . . . 0.0 112.84 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -139.42 113.73 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 127.485 2.314 . . . . 0.0 109.309 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.46 45.53 75.9 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 114.922 163.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.284 2.0 mp0 68.09 15.5 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.281 2.232 . . . . 0.0 116.881 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.41 166.06 12.77 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.392 2.277 . . . . 0.0 111.099 162.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -150.02 101.03 2.99 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.419 1.087 . . . . 0.0 112.829 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -116.21 139.12 50.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.648 1.579 . . . . 0.0 110.407 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.43 152.6 34.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 124.6 1.16 . . . . 0.0 112.614 -173.338 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.41 -37.07 69.67 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.303 1.041 . . . . 0.0 112.582 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -17.26 8.73 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.736 2.014 . . . . 0.0 115.884 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.55 -26.91 10.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.095 1.358 . . . . 0.0 112.807 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.99 -39.04 83.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.264 1.826 . . . . 0.0 111.747 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.62 -27.06 6.15 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.518 1.527 . . . . 0.0 113.083 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.0 -44.03 7.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.99 1.316 . . . . 0.0 111.471 -175.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.3 p -76.63 -30.3 56.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.701 0.682 . . . . 0.0 112.825 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -31.04 70.08 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.398 -0.814 . . . . 0.0 112.243 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.82 -17.6 64.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.934 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 m -67.49 -17.99 64.89 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.427 1.091 . . . . 0.0 113.864 166.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.8 mt -105.04 -10.69 17.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.736 1.614 . . . . 0.0 112.533 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.41 11.93 65.8 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.182 1.372 . . . . 0.0 114.414 -166.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.7 158.06 16.98 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.024 1.412 . . . . 0.0 111.557 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.06 140.23 29.85 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 109.259 168.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 118.95 11.12 Favored Glycine 0 N--CA 1.467 0.751 0 O-C-N 121.433 -0.792 . . . . 0.0 113.689 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -143.15 159.71 41.78 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.95 1.7 . . . . 0.0 109.724 167.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.68 160.07 21.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.114 1.366 . . . . 0.0 112.397 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mt -138.11 122.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.759 1.224 . . . . 0.0 108.877 166.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 35.1 78.51 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.861 0.743 . . . . 0.0 114.143 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 59.97 31.03 20.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.647 1.979 . . . . 0.0 114.791 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.89 148.37 48.57 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.548 1.939 . . . . 0.0 110.009 167.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.49 113.51 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.36 1.464 . . . . 0.0 112.189 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -148.09 112.83 5.39 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.454 2.302 . . . . 0.0 108.61 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 p -127.68 177.9 6.49 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -155.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 126.113 1.765 . . . . 0.0 114.021 -152.188 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.65 -45.49 92.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.32 0.963 . . . . 0.0 111.245 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -1.88 6.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.423 1.489 . . . . 0.0 114.87 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.72 -37.09 4.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.198 1.399 . . . . 0.0 112.378 168.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.13 -33.72 50.28 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.656 1.183 . . . . 0.0 112.637 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.2 -38.73 27.0 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.639 0.775 . . . . 0.0 112.403 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.32 -36.42 83.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.458 1.503 . . . . 0.0 112.115 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -77.5 -7.63 56.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 113.003 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.31 -30.82 7.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.684 1.594 . . . . 0.0 112.715 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -52.91 -41.5 64.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.648 1.979 . . . . 0.0 111.315 168.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 p -67.31 -7.52 25.16 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.035 1.734 . . . . 0.0 114.808 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.75 -27.98 8.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.5 1.92 . . . . 0.0 112.43 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.93 12.37 16.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.328 1.442 . . . . 0.0 115.431 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -176.48 4.11 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.478 1.639 . . . . 0.0 112.568 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.6 mt -95.71 150.25 20.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.258 0.936 . . . . 0.0 112.817 -172.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.93 84.6 1.37 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 124.957 1.265 . . . . 0.0 112.592 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -98.32 88.26 4.11 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.214 1.007 . . . . 0.0 110.842 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.42 133.08 41.22 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.96 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.78 139.67 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.543 1.537 . . . . 0.0 108.826 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 40.89 99.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.894 0.759 . . . . 0.0 112.813 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 53.58 34.13 17.91 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 114.203 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -130.37 131.4 45.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.864 1.266 . . . . 0.0 110.508 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.9 t -76.15 110.49 10.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.728 0.775 . . . . 0.0 110.522 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.65 170.04 20.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.898 2.079 . . . . 0.0 111.089 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.41 179.61 4.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.76 1.224 . . . . 0.0 111.698 -167.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.475 0.783 0 O-C-N 121.49 -0.756 . . . . 0.0 112.993 -176.754 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.3 -61.16 0.98 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.458 1.103 . . . . 0.0 111.844 -174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.49 -11.55 60.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -29.54 13.86 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.055 0.942 . . . . 0.0 112.485 163.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.9 -43.46 71.71 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.371 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -45.79 -42.42 12.14 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.807 1.243 . . . . 0.0 112.349 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.05 -42.42 63.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.738 1.215 . . . . 0.0 110.999 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 m -69.08 -18.45 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.762 1.225 . . . . 0.0 112.826 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.69 -14.67 20.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.354 1.461 . . . . 0.0 114.495 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -33.47 74.8 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.519 -1.363 . . . . 0.0 114.596 -168.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -73.19 -12.32 60.83 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.67 0.56 57.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.803 0.841 . . . . 0.0 111.95 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.96 31.72 64.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.277 0.941 . . . . 0.0 114.605 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -144.74 -172.89 3.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.487 1.115 . . . . 0.0 113.064 -178.485 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.29 145.58 24.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 111.51 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 121.62 6.84 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 167.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -146.25 135.67 22.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.813 1.245 . . . . 0.0 112.471 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -78.79 149.24 32.66 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.964 0.906 . . . . 0.0 113.22 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.34 -44.15 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.851 1.26 . . . . 0.0 111.816 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.77 56.23 0.68 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.294 1.902 . . . . 0.0 109.483 165.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.06 0.04 0.26 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.623 2.769 . . . . 0.0 117.044 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -102.05 150.5 23.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.394 1.877 . . . . 0.0 111.502 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.11 126.09 26.09 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.529 1.157 . . . . 0.0 113.704 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -139.62 159.96 40.95 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 129.2 3.0 . . . . 0.0 108.419 162.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.8 m -106.89 155.42 19.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.151 0.581 . . . . 0.0 111.851 169.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -168.231 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 122.027 0.917 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.88 -45.27 93.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.733 1.213 . . . . 0.0 111.313 -163.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.0 61.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.821 1.248 . . . . 0.0 114.292 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.6 -37.07 10.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.919 1.288 . . . . 0.0 112.879 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.41 -33.86 65.18 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.016 -1.052 . . . . 0.0 112.408 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.02 -20.27 56.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.583 1.153 . . . . 0.0 113.361 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.84 -44.99 46.19 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.27 -0.894 . . . . 0.0 111.396 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -72.81 -42.86 63.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.943 0.897 . . . . 0.0 111.644 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.42 -29.94 64.17 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -30.14 71.14 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 112.249 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -71.62 -7.67 49.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.035 1.334 . . . . 0.0 113.629 171.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -104.57 5.22 33.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.249 1.82 . . . . 0.0 112.355 166.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.62 89.36 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 116.685 -2.175 . . . . 0.0 116.257 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.37 -176.35 3.79 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 121.052 2.426 . . . . 0.0 115.579 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.54 137.69 33.74 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.616 1.566 . . . . 0.0 109.984 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.47 98.59 1.89 Allowed Glycine 0 N--CA 1.465 0.58 0 C-N-CA 124.155 0.883 . . . . 0.0 112.145 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -131.81 122.81 26.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.291 1.036 . . . . 0.0 110.509 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.0 p -111.88 157.82 20.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -119.44 -30.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.833 1.253 . . . . 0.0 112.963 -157.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.49 28.44 4.49 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.779 1.657 . . . . 0.0 113.666 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 55.58 41.35 30.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.152 1.781 . . . . 0.0 113.481 -170.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -140.43 114.03 8.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.693 1.197 . . . . 0.0 108.618 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.7 t -54.17 126.55 23.31 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 122.768 1.27 . . . . 0.0 114.232 -157.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.31 157.06 46.55 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 128.602 2.761 . . . . 0.0 110.001 -171.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -116.25 169.36 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.401 1.08 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.784 -1.197 . . . . 0.0 113.439 -169.577 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.21 -38.93 92.8 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.987 -1.071 . . . . 0.0 112.709 -167.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.21 -12.31 61.56 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.76 -30.84 11.85 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.55 1.14 . . . . 0.0 112.153 167.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.27 -40.9 74.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.542 1.537 . . . . 0.0 112.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.23 -41.26 65.22 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 111.056 169.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.64 -30.57 69.31 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.829 0.851 . . . . 0.0 112.528 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.9 m -76.84 -44.13 33.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.1 m -74.78 -36.21 62.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 113.334 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -32.12 72.66 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.509 -1.369 . . . . 0.0 112.78 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -62.89 -16.07 57.45 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.64 -15.23 24.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.181 1.392 . . . . 0.0 112.483 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.87 7.32 29.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.575 1.559 . . . . 0.0 116.741 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.95 -175.08 3.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.27 1.535 . . . . 0.0 114.05 -174.022 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.72 144.49 25.68 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.398 1.079 . . . . 0.0 111.257 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.1 132.52 11.05 Favored Glycine 0 N--CA 1.465 0.579 0 C-N-CA 124.382 0.991 . . . . 0.0 113.175 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.53 162.1 32.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 174.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.15 98.91 12.03 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.153 -0.967 . . . . 0.0 110.773 169.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.1 mm -117.38 119.63 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.964 1.706 . . . . 0.0 109.973 -173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.17 37.53 94.67 Favored Glycine 0 CA--C 1.534 1.253 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -161.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.401 0.3 OUTLIER 47.76 33.65 3.31 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.876 2.47 . . . . 0.0 116.502 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -136.8 160.57 38.46 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.209 1.804 . . . . 0.0 112.024 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.44 116.1 6.38 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.703 -0.623 . . . . 0.0 112.559 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -143.08 153.59 43.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.571 2.349 . . . . 0.0 109.925 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.1 m -106.21 157.07 17.84 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.995 -1.065 . . . . 0.0 113.253 -171.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -164.766 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -155.73 110.62 2.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 128.574 2.75 . . . . 0.0 110.102 -0.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.93 166.12 27.73 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.546 3.138 . . . . 0.0 109.313 -13.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -139.62 27.3 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.9 t -84.65 125.06 32.16 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.828 -1.17 . . . . 0.0 110.981 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -87.87 93.76 9.56 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 163.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.05 -35.78 73.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.565 0.746 . . . . 0.0 111.745 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.81 -22.13 66.54 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.41 31.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.661 1.184 . . . . 0.0 113.259 170.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.69 -46.69 12.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.232 1.013 . . . . 0.0 111.273 172.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.08 -39.45 66.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.523 1.529 . . . . 0.0 112.675 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.51 -4.7 12.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.8 p -103.0 1.43 33.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.98 1.712 . . . . 0.0 114.16 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.03 -45.08 0.85 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.653 1.581 . . . . 0.0 112.868 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -60.83 -31.5 70.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.642 1.577 . . . . 0.0 114.324 -167.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 m -80.54 -5.28 56.5 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.68 -2.54 38.06 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.132 1.773 . . . . 0.0 112.599 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.17 22.95 62.11 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 118.763 -1.021 . . . . 0.0 115.014 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.63 171.05 15.02 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.141 1.471 . . . . 0.0 113.27 168.535 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 tp -90.18 136.65 32.92 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.423 1.889 . . . . 0.0 111.402 -174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 133.42 26.25 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.637 0.637 . . . . 0.0 113.586 166.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -123.79 133.37 53.83 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.229 1.812 . . . . 0.0 111.543 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.67 129.36 36.72 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.423 1.106 . . . . 0.0 113.223 168.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.7 mt -137.27 127.84 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.082 1.753 . . . . 0.0 107.921 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.67 37.92 95.04 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.956 0.789 . . . . 0.0 113.945 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.259 4.5 mp0 56.18 21.96 5.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.626 2.371 . . . . 0.0 115.484 -170.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.22 108.34 19.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.952 1.301 . . . . 0.0 110.283 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -89.24 125.9 35.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.666 1.186 . . . . 0.0 112.493 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -138.03 -179.55 5.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 129.221 3.009 . . . . 0.0 109.483 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.7 m -114.56 158.29 21.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.002 -1.061 . . . . 0.0 111.393 165.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -70.14 155.45 93.44 Favored Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 123.702 0.801 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.28 -13.53 15.25 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 123.729 2.952 . . . . 0.0 114.142 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 125.639 1.576 . . . . 0.0 112.651 -178.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.825 0 CA-C-O 118.161 -1.355 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -155.47 168.98 25.34 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.995 2.518 . . . . 0.0 113.423 1.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 36.67 71.27 0.14 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.979 2.512 . . . . 0.0 116.007 164.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -147.01 137.52 23.61 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.111 -0.993 . . . . 0.0 112.072 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.7 p -61.75 162.19 9.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.64 1.576 . . . . 0.0 112.401 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -62.14 115.77 4.4 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.034 -1.041 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.57 -36.44 83.82 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.781 -0.574 . . . . 0.0 112.049 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.65 -17.6 63.51 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.496 1.118 . . . . 0.0 113.283 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.77 -3.61 57.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.035 0.934 . . . . 0.0 112.644 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.7 t -123.38 -57.4 1.67 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.57 -40.71 88.25 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.699 -1.251 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.33 -10.8 57.45 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.38 -25.23 23.94 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.216 1.371 . . . . 0.0 113.125 166.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.75 -40.54 7.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.485 1.114 . . . . 0.0 113.503 -169.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -62.61 -33.41 74.94 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -165.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -71.09 -2.07 14.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 173.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -98.14 -8.92 26.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.268 1.427 . . . . 0.0 112.628 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.87 71.64 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.299 -1.279 . . . . 0.0 115.621 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -120.62 168.09 11.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.833 1.817 . . . . 0.0 113.05 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -92.68 143.94 25.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.609 1.164 . . . . 0.0 111.256 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.49 117.52 5.46 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 125.017 1.294 . . . . 0.0 112.402 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -138.69 174.53 10.43 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.02 1.728 . . . . 0.0 112.274 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -160.29 154.39 23.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.199 1.4 . . . . 0.0 112.543 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mm -126.95 -37.96 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.626 1.57 . . . . 0.0 112.498 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 30.35 10.3 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.775 1.655 . . . . 0.0 111.802 172.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 52.81 35.78 19.69 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -124.59 128.17 48.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.977 1.311 . . . . 0.0 109.192 166.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.09 116.11 17.45 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.337 -0.852 . . . . 0.0 112.188 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -136.23 119.63 16.88 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.45 1.9 . . . . 0.0 109.832 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.4 m -75.08 151.12 38.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.5 m -83.71 153.77 64.62 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -171.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.63 138.51 32.27 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.154 2.57 . . . . 0.0 111.77 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.93 1.692 . . . . 0.0 111.213 -177.84 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -96.24 160.61 14.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.108 1.363 . . . . 0.0 111.971 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.03 72.33 10.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.531 1.133 . . . . 0.0 109.611 164.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 t80 59.2 162.29 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.092 2.157 . . . . 0.0 114.101 -164.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.6 28.94 0.1 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.391 0.0 OUTLIER 48.65 30.99 2.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.814 2.845 . . . . 0.0 115.745 -175.209 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.22 -27.54 65.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 113.038 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.53 65.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.931 1.293 . . . . 0.0 114.335 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.41 -26.47 14.84 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.705 1.202 . . . . 0.0 112.118 170.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -71.31 -50.69 29.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.195 0.998 . . . . 0.0 113.253 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.93 -40.16 87.53 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.108 0.867 . . . . 0.0 112.047 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.25 -11.49 50.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -95.1 -6.13 42.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.215 1.406 . . . . 0.0 113.28 170.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.6 m -115.7 -46.91 2.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.876 1.67 . . . . 0.0 112.647 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -65.14 -23.77 67.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.372 -1.455 . . . . 0.0 114.504 -169.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -60.55 -30.27 69.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.782 0.833 . . . . 0.0 112.84 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.73 -6.27 57.54 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.443 1.897 . . . . 0.0 112.832 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.51 20.27 74.78 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.569 -1.128 . . . . 0.0 115.085 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -121.81 171.06 9.17 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.244 1.522 . . . . 0.0 113.268 169.453 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 tp -89.19 133.93 34.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.56 2.344 . . . . 0.0 110.55 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.4 121.3 5.37 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.376 0.988 . . . . 0.0 111.974 165.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -119.19 132.05 55.91 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.088 0.955 . . . . 0.0 113.498 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.5 m -84.19 132.8 34.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 112.621 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -137.25 126.14 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.757 2.023 . . . . 0.0 108.709 171.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.72 33.11 66.7 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.648 -0.657 . . . . 0.0 113.456 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.26 30.3 mt-10 62.89 6.69 2.27 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.864 2.065 . . . . 0.0 116.294 -175.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -91.47 165.9 13.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.798 1.639 . . . . 0.0 109.77 156.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -139.21 137.97 36.46 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.636 -1.29 . . . . 0.0 113.485 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -149.68 147.44 28.08 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.482 2.313 . . . . 0.0 109.205 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.2 m -73.11 166.04 23.87 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.743 1.61 . . . . 0.0 112.66 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -114.06 163.01 20.12 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 124.822 1.249 . . . . 0.0 112.844 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.91 79.66 1.28 Allowed 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.501 2.801 . . . . 0.0 109.518 161.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.59 1.956 . . . . 0.0 113.63 -173.082 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.063 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -72.84 169.94 15.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.174 1.39 . . . . 0.0 114.346 -168.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.73 74.32 7.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.125 0.97 . . . . 0.0 111.64 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 71.11 149.76 0.09 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.421 2.288 . . . . 0.0 113.856 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.9 p -59.42 164.45 3.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.443 1.497 . . . . 0.0 113.997 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -66.92 109.75 3.06 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 109.516 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 tp -149.62 -22.54 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -171.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.93 79.76 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -164.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.52 -7.08 42.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.605 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.36 -52.65 44.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.24 1.416 . . . . 0.0 109.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.12 -45.43 61.58 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.857 0.863 . . . . 0.0 112.42 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.99 -26.62 68.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.102 0.961 . . . . 0.0 112.623 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 m -93.03 -30.62 15.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.325 1.85 . . . . 0.0 112.596 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -63.88 -24.39 67.72 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.111 -0.993 . . . . 0.0 112.325 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -46.24 72.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.198 1.399 . . . . 0.0 113.084 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -76.74 -2.11 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.76 -20.32 20.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.761 1.225 . . . . 0.0 112.32 163.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.66 77.58 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.0 1.286 . . . . 0.0 114.005 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -103.44 157.66 16.88 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.627 1.171 . . . . 0.0 110.228 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.92 145.81 35.92 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 107.397 161.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.1 116.16 4.7 Favored Glycine 0 N--CA 1.467 0.755 0 O-C-N 120.595 -1.316 . . . . 0.0 111.893 168.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -140.29 119.27 12.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.871 0.869 . . . . 0.0 110.225 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 p -77.75 149.07 34.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.655 1.582 . . . . 0.0 113.679 -168.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.9 mm -135.53 131.32 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.042 1.737 . . . . 0.0 109.498 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.23 28.79 67.37 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.824 -0.547 . . . . 0.0 113.196 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.273 17.3 mt-10 58.2 13.11 2.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.817 2.847 . . . . 0.0 115.814 -169.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.82 158.02 16.43 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.383 2.273 . . . . 0.0 111.509 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -63.38 122.62 16.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.09 0.956 . . . . 0.0 111.683 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -148.77 166.82 27.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.669 2.787 . . . . 0.0 110.09 171.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.489 ' HB2' HD23 ' A' ' 19' ' ' LEU . 12.5 m -131.37 160.79 34.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.558 1.143 . . . . 0.0 111.482 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m -145.28 152.78 51.31 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 127.501 2.32 . . . . 0.0 112.161 -170.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -74.35 -19.16 19.84 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 121.796 1.664 . . . . 0.0 115.437 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.258 1.502 0 C-N-CA 125.424 1.49 . . . . 0.0 113.799 -168.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.71 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -97.21 -18.35 19.3 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -172.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.96 140.66 50.88 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.484 1.114 . . . . 0.0 112.135 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -86.04 25.85 1.09 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.431 1.492 . . . . 0.0 112.415 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.8 t -150.9 125.21 9.43 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.752 1.621 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.14 128.06 35.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.118 0.967 . . . . 0.0 110.433 177.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.9 tp -79.07 -34.04 44.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.12 0.418 . . . . 0.0 112.091 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.09 95.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.536 -0.727 . . . . 0.0 111.391 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.4 38.16 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.741 -1.224 . . . . 0.0 113.96 173.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.59 -40.2 11.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.498 1.519 . . . . 0.0 110.996 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.5 -42.0 81.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.538 -1.351 . . . . 0.0 111.187 164.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.05 -16.35 51.31 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.659 -1.276 . . . . 0.0 113.636 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -97.65 -27.15 14.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 113.781 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.5 m -108.74 -42.93 4.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 114.654 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.69 -31.33 70.59 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.358 1.463 . . . . 0.0 114.263 -165.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -61.78 -19.84 62.94 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 114.233 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.6 -5.93 55.27 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.834 1.654 . . . . 0.0 112.757 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.52 10.65 83.11 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.541 -1.144 . . . . 0.0 115.266 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.97 170.47 8.32 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.102 1.451 . . . . 0.0 112.732 170.299 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.0 tp -87.13 134.95 33.46 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.234 1.814 . . . . 0.0 110.554 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.23 132.97 13.28 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.135 0.398 . . . . 0.0 112.563 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -134.36 148.97 50.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.553 1.541 . . . . 0.0 109.101 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.36 118.95 27.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.751 1.159 . . . . 0.0 112.911 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -137.17 131.76 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.557 1.543 . . . . 0.0 109.445 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 33.46 85.82 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 121.801 -0.562 . . . . 0.0 112.448 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.66 14.86 8.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.825 2.05 . . . . 0.0 115.597 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.25 136.48 53.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.922 1.289 . . . . 0.0 112.754 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.85 121.4 17.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 110.671 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -139.83 105.68 5.17 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.388 2.675 . . . . 0.0 108.607 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.9 m -68.75 156.22 38.71 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.149 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -78.67 154.47 78.52 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 121.191 -0.943 . . . . 0.0 111.663 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -83.43 115.92 2.27 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.107 2.538 . . . . 0.0 109.611 170.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.9 t80 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.457 -168.127 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.965 0 CA-C-O 120.794 0.108 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -86.43 125.38 33.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.378 1.871 . . . . 0.0 111.603 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.95 8.55 3.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -67.96 168.67 11.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.084 0.945 . . . . 0.0 112.898 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -147.06 152.45 38.56 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.906 1.283 . . . . 0.0 109.814 162.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -76.34 94.77 3.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 159.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -70.21 -33.57 71.85 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.436 0.694 . . . . 0.0 111.824 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.95 83.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.74 0.816 . . . . 0.0 112.627 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.73 62.53 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.314 1.046 . . . . 0.0 113.48 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -94.21 -42.19 9.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.184 1.394 . . . . 0.0 112.342 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -40.61 58.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.703 1.601 . . . . 0.0 113.763 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -12.17 55.08 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 p -90.33 -7.81 52.37 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.007 1.323 . . . . 0.0 113.384 171.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.05 -34.31 5.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.211 1.805 . . . . 0.0 112.51 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.6 -27.05 68.93 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.762 1.225 . . . . 0.0 114.187 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 p -69.63 -14.05 62.62 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.877 1.671 . . . . 0.0 114.032 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.76 0.78 22.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.982 1.713 . . . . 0.0 112.944 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.85 -17.83 53.36 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.76 1.647 . . . . 0.0 115.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 176.0 5.3 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.073 1.436 . . . . 0.0 113.518 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 mt -91.86 155.43 18.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.389 1.476 . . . . 0.0 111.59 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 148.73 49.54 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.992 -0.442 . . . . 0.0 113.363 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.17 130.05 38.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.068 1.747 . . . . 0.0 109.751 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -159.51 121.48 3.37 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -136.22 135.14 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 127.332 2.253 . . . . 0.0 108.113 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.43 34.01 73.44 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 113.752 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 58.11 5.46 0.4 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.563 2.345 . . . . 0.0 116.668 -171.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -89.52 108.42 19.65 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.825 -1.172 . . . . 0.0 112.403 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.02 122.61 29.02 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.44 1.114 . . . . 0.0 113.326 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -135.11 179.29 6.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.891 3.276 . . . . 0.0 109.388 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 m -120.65 160.15 23.86 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.042 -1.037 . . . . 0.0 111.206 167.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -70.57 150.19 95.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 121.577 -0.702 . . . . 0.0 112.172 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.65 8.42 3.7 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 123.808 3.005 . . . . 0.0 114.416 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.7 2.0 . . . . 0.0 114.49 -168.334 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 CA-C-O 118.53 -1.15 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p 57.9 160.23 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 131.397 3.879 . . . . 0.0 116.245 6.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.98 20.17 2.35 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -137.55 158.61 44.01 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.253 1.421 . . . . 0.0 112.818 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.1 t 53.9 54.52 9.65 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.378 1.871 . . . . 0.0 113.663 172.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.72 151.71 44.38 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.952 0.901 . . . . 0.0 112.027 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.4 tp -114.68 -49.48 2.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.684 1.193 . . . . 0.0 113.131 -168.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.28 66.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.496 0.719 . . . . 0.0 112.634 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.93 61.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.541 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -84.33 -44.38 13.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.331 1.053 . . . . 0.0 110.216 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.9 -23.55 67.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.727 -1.233 . . . . 0.0 112.736 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.88 -2.28 56.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.511 1.524 . . . . 0.0 114.185 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -133.92 22.93 3.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.326 1.051 . . . . 0.0 113.584 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -130.65 -32.97 1.66 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -72.93 -24.11 60.78 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.981 1.719 . . . . 0.0 112.927 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -54.54 -33.05 59.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.587 1.155 . . . . 0.0 112.551 162.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.74 -9.58 34.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.089 2.155 . . . . 0.0 113.258 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.7 61.4 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.528 2.013 . . . . 0.0 116.409 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.69 157.82 18.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.942 1.871 . . . . 0.0 112.718 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.62 128.73 33.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.786 1.234 . . . . 0.0 110.193 164.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 114.69 6.88 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.331 0.967 . . . . 0.0 113.725 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -150.46 164.04 36.9 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.497 2.319 . . . . 0.0 111.647 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.3 177.95 4.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.75 1.62 . . . . 0.0 112.053 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -94.1 -46.6 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.107 -0.996 . . . . 0.0 110.247 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.91 11.53 0.06 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.457 1.503 . . . . 0.0 114.468 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.33 -58.13 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.689 1.596 . . . . 0.0 111.358 -160.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.12 166.23 32.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.17 110.56 1.65 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.916 1.686 . . . . 0.0 111.716 -171.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -147.54 81.19 1.51 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.442 3.097 . . . . 0.0 106.728 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.94 170.46 10.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.686 1.594 . . . . 0.0 114.344 -162.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.27 160.67 66.03 Favored Pre-proline 0 N--CA 1.482 1.128 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -149.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.55 53.63 3.19 Favored 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.741 4.961 . . . . 0.0 114.334 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 126.262 1.825 . . . . 0.0 110.885 172.69 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -70.23 -22.37 62.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.779 0.831 . . . . 0.0 111.558 172.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.79 163.0 24.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.572 1.949 . . . . 0.0 110.06 158.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -81.54 146.46 30.14 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 113.044 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 t -125.24 135.84 52.95 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.736 1.214 . . . . 0.0 113.191 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -123.66 118.95 28.42 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 126.165 1.786 . . . . 0.0 108.693 163.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.61 -39.4 76.78 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.465 1.106 . . . . 0.0 112.182 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.24 13.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.129 1.772 . . . . 0.0 114.925 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.81 -10.48 14.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.288 1.435 . . . . 0.0 113.438 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.39 -40.82 12.48 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.203 1.401 . . . . 0.0 111.837 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.56 -44.21 72.71 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.103 -0.998 . . . . 0.0 110.354 164.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.33 -2.33 13.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.594 1.157 . . . . 0.0 113.974 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -113.18 -0.76 14.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.527 1.931 . . . . 0.0 113.631 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.59 -48.35 1.93 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 111.297 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -72.19 -14.57 61.84 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.717 -1.239 . . . . 0.0 114.016 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.2 p -65.84 -22.6 66.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.505 1.522 . . . . 0.0 113.437 165.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.8 -18.34 23.01 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.418 1.487 . . . . 0.0 112.717 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 0.75 32.67 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.413 1.959 . . . . 0.0 115.934 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.17 161.12 18.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.465 1.632 . . . . 0.0 113.292 175.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.41 135.29 36.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.134 1.374 . . . . 0.0 110.779 -173.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.39 131.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.663 0.649 . . . . 0.0 113.764 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.52 152.81 52.03 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.657 1.583 . . . . 0.0 112.73 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.6 m -97.82 66.27 1.89 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.683 1.593 . . . . 0.0 111.355 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 127.21 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.474 1.11 . . . . 0.0 109.998 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 29.8 75.69 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.672 -0.642 . . . . 0.0 112.775 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 52.35 35.58 17.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.687 1.995 . . . . 0.0 113.267 -168.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' ' HE3' ' A' ' 29' ' ' LYS . 61.1 tt0 -141.51 141.89 33.59 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.256 1.422 . . . . 0.0 109.948 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.3 t -73.7 106.39 5.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.626 -1.296 . . . . 0.0 111.568 -170.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 27' ' ' GLU . 89.2 mttt -138.72 106.37 5.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.329 1.852 . . . . 0.0 108.999 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.4 m -72.38 159.66 33.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.324 0.65 . . . . 0.0 112.414 -170.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.9 149.55 63.57 Favored Pre-proline 0 N--CA 1.476 0.838 0 O-C-N 121.463 -0.773 . . . . 0.0 113.007 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.99 75.71 4.92 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.803 3.002 . . . . 0.0 112.028 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 124.071 0.948 . . . . 0.0 111.626 164.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.901 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -69.19 -15.0 63.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.975 1.31 . . . . 0.0 114.058 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.61 178.07 7.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.212 1.405 . . . . 0.0 111.318 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -127.67 150.44 49.76 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.726 1.611 . . . . 0.0 109.953 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.43 129.5 41.91 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.403 -0.811 . . . . 0.0 112.554 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -136.0 118.44 15.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 154.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.16 -43.83 78.72 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.85 10.14 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.449 1.9 . . . . 0.0 114.627 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.4 -25.78 3.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.413 1.485 . . . . 0.0 111.98 162.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -73.64 -45.45 52.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.708 1.203 . . . . 0.0 111.973 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.63 -43.49 72.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.487 0.715 . . . . 0.0 110.546 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.46 -9.2 58.25 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.89 1.676 . . . . 0.0 113.78 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -104.5 -7.2 19.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.675 1.99 . . . . 0.0 112.867 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.5 m -117.31 -38.41 3.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.271 1.428 . . . . 0.0 114.039 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.7 -20.32 65.95 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.9 p -64.85 -20.2 66.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.436 1.016 . . . . 0.0 113.581 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -87.57 -10.06 52.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.031 1.332 . . . . 0.0 113.264 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.55 -6.54 77.63 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.827 1.679 . . . . 0.0 115.507 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -103.01 174.93 5.65 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.744 1.272 . . . . 0.0 111.177 172.316 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -104.18 152.73 21.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.221 1.008 . . . . 0.0 111.264 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.72 100.99 2.04 Favored Glycine 0 N--CA 1.466 0.678 0 C-N-CA 124.603 1.097 . . . . 0.0 112.41 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -129.1 123.31 31.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.879 1.272 . . . . 0.0 109.815 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.37 155.71 34.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.857 1.263 . . . . 0.0 113.495 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.64 133.51 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.591 1.556 . . . . 0.0 108.118 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.48 92.09 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 121.9 -0.5 . . . . 0.0 113.733 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 65.93 17.72 10.89 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.454 1.902 . . . . 0.0 115.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.05 158.74 42.79 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.804 1.241 . . . . 0.0 112.089 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.49 124.79 24.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.929 -1.107 . . . . 0.0 113.249 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.64 155.61 44.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.079 2.552 . . . . 0.0 109.382 166.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.6 m -93.59 165.61 12.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.65 -0.656 . . . . 0.0 111.644 168.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.88 161.56 23.07 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.564 1.146 . . . . 0.0 113.988 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -68.43 134.85 32.08 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.92 3.08 . . . . 0.0 111.709 160.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -176.858 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -138.82 23.59 2.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.136 1.375 . . . . 0.0 113.059 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.59 159.73 41.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.9 1.68 . . . . 0.0 110.973 167.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -66.09 154.37 39.78 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.55 0.74 . . . . 0.0 112.3 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.03 97.29 2.77 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.908 -1.12 . . . . 0.0 111.866 170.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -75.54 115.78 15.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.65 160.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 tp -71.13 -43.88 66.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 112.036 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.107 0.563 . . . . 0.0 112.297 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.42 -24.28 42.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.948 . . . . 0.0 113.304 171.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.2 -37.73 66.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.528 1.131 . . . . 0.0 110.856 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.59 -39.06 48.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.016 0.926 . . . . 0.0 112.128 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.33 -13.67 62.21 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.92 1.288 . . . . 0.0 113.976 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -102.14 -5.06 24.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.963 1.705 . . . . 0.0 113.503 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -122.42 -44.14 2.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.599 1.16 . . . . 0.0 113.25 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -58.89 -32.45 69.53 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.468 -1.395 . . . . 0.0 113.11 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -66.11 -15.59 63.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.035 2.134 . . . . 0.0 115.308 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.41 -8.61 26.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.068 1.747 . . . . 0.0 113.182 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 11.99 54.48 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.064 1.316 . . . . 0.0 115.466 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.77 175.99 9.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.801 1.8 . . . . 0.0 113.111 178.277 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.38 143.86 26.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.985 1.314 . . . . 0.0 111.424 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.22 130.92 10.48 Favored Glycine 0 N--CA 1.469 0.869 0 C-N-CA 123.823 0.725 . . . . 0.0 112.762 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -139.51 150.67 45.39 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 98.8 m -85.51 70.89 10.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.989 0.915 . . . . 0.0 110.808 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.68 134.58 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.966 1.306 . . . . 0.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 24.67 63.07 Favored Glycine 0 CA--C 1.542 1.736 0 O-C-N 120.727 -1.233 . . . . 0.0 112.995 -165.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 61.21 16.41 7.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.956 2.502 . . . . 0.0 115.371 -166.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -131.55 149.64 52.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.936 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.89 121.2 16.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.2 -1.562 . . . . 0.0 113.251 -167.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -141.26 178.3 7.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 128.895 2.878 . . . . 0.0 109.434 167.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 5.6 m -114.18 159.76 19.74 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.778 -1.201 . . . . 0.0 112.351 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 m -80.02 150.09 71.14 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 121.32 -0.862 . . . . 0.0 113.085 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.69 133.52 10.42 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.59 2.86 . . . . 0.0 113.04 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 126.662 1.985 . . . . 0.0 110.725 167.907 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.828 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -91.78 -37.08 13.18 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.85 4.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.0 t80 57.7 138.4 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 128.557 2.743 . . . . 0.0 115.367 -171.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.76 119.5 14.09 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.387 1.075 . . . . 0.0 112.596 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -87.93 37.44 0.8 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.064 1.746 . . . . 0.0 114.609 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.83 -36.05 78.11 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.354 -0.841 . . . . 0.0 112.496 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.91 44.92 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.71 -21.34 12.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.983 1.313 . . . . 0.0 112.62 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.99 -46.4 68.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.838 0.855 . . . . 0.0 111.078 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.74 -54.94 22.87 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.377 1.071 . . . . 0.0 111.699 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.01 -11.61 60.39 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.8 m -91.68 -40.25 11.39 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.066 0.946 . . . . 0.0 111.376 172.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.68 -37.19 86.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.158 0.983 . . . . 0.0 111.38 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -57.1 -30.79 64.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -58.1 -21.91 48.34 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.49 1.496 . . . . 0.0 114.27 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.94 -11.16 29.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.181 1.792 . . . . 0.0 112.843 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.52 9.63 59.98 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.097 1.332 . . . . 0.0 116.228 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -124.1 -165.9 1.42 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.345 1.458 . . . . 0.0 111.639 177.519 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.04 164.94 17.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.97 1.708 . . . . 0.0 112.015 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.18 148.72 21.58 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.316 0.96 . . . . 0.0 115.029 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -136.62 148.52 47.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.484 1.913 . . . . 0.0 111.427 164.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.65 129.25 37.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.085 0.954 . . . . 0.0 111.253 165.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.9 mt -132.82 120.53 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.941 1.296 . . . . 0.0 108.525 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.88 31.94 82.51 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.793 -0.567 . . . . 0.0 113.471 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 62.38 18.83 10.62 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.722 2.009 . . . . 0.0 115.154 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.51 156.25 42.48 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.709 -1.245 . . . . 0.0 111.559 174.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.72 131.22 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.499 1.52 . . . . 0.0 113.26 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -140.8 149.9 42.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 129.048 2.939 . . . . 0.0 108.963 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 52.2 m -98.13 154.33 17.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.181 -1.574 . . . . 0.0 113.7 -177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 m -85.37 158.13 58.03 Favored Pre-proline 0 N--CA 1.481 1.076 0 C-N-CA 124.861 1.265 . . . . 0.0 113.318 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -68.5 133.69 28.7 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.362 2.041 . . . . 0.0 110.706 163.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.952 1.301 . . . . 0.0 111.6 -178.185 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -53.98 -29.61 43.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 -175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.18 -8.48 29.93 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -140.15 82.59 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.362 2.265 . . . . 0.0 109.934 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.65 63.28 1.4 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.018 1.727 . . . . 0.0 108.633 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.83 121.12 15.32 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.065 0.946 . . . . 0.0 111.693 -164.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.43 -20.28 25.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.539 1.135 . . . . 0.0 113.498 -173.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -58.68 5.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.321 1.448 . . . . 0.0 114.241 -161.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.97 29.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.149 1.38 . . . . 0.0 112.704 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 t -67.68 -48.05 67.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.218 1.007 . . . . 0.0 109.921 173.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -39.89 74.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.562 0.745 . . . . 0.0 112.854 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.76 -42.72 99.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.222 0.609 . . . . 0.0 111.121 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 p -67.64 -19.76 65.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.031 0.932 . . . . 0.0 113.437 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -88.75 -35.97 16.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.272 1.029 . . . . 0.0 111.423 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -29.57 70.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.221 -1.55 . . . . 0.0 112.451 173.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -54.21 -16.27 2.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.747 1.619 . . . . 0.0 114.512 165.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.6 -9.3 12.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.08 1.752 . . . . 0.0 113.269 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.99 13.88 70.81 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.799 1.08 . . . . 0.0 115.799 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -123.54 -175.9 3.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.024 1.329 . . . . 0.0 112.489 173.197 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.62 140.1 32.54 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.679 1.592 . . . . 0.0 111.337 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.22 131.92 11.0 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 124.743 1.163 . . . . 0.0 111.443 168.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -139.81 160.21 40.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.357 1.463 . . . . 0.0 113.166 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.65 110.09 13.47 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.196 -0.94 . . . . 0.0 109.956 166.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -127.85 128.92 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.814 1.646 . . . . 0.0 108.656 -174.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.57 32.39 61.21 Favored Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.317 -0.864 . . . . 0.0 113.382 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 59.94 21.0 10.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.847 2.059 . . . . 0.0 115.907 -171.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -134.82 133.88 40.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.537 . . . . 0.0 110.524 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.47 119.54 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.705 -1.247 . . . . 0.0 111.983 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -153.88 178.92 9.38 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.445 2.298 . . . . 0.0 110.956 -176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 3.2 m -101.96 154.54 18.86 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.805 -1.185 . . . . 0.0 114.117 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m -91.57 163.11 29.6 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -85.17 -7.49 9.1 Favored 'Trans proline' 0 CA--C 1.547 1.153 0 C-N-CA 124.727 3.618 . . . . 0.0 114.902 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.314 1.445 . . . . 0.0 114.301 -176.306 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.823 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m 48.96 41.23 18.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.891 2.076 . . . . 0.0 114.613 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.1 47.4 1.23 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.627 1.171 . . . . 0.0 112.903 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -66.32 150.32 49.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.672 1.589 . . . . 0.0 113.32 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.18 119.27 37.21 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 114.462 -170.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -67.89 137.56 55.34 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.193 1.797 . . . . 0.0 110.816 168.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -48.88 -41.02 31.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.66 64.8 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.58 -21.98 18.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.087 . . . . 0.0 113.243 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 -29.0 16.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.083 0.953 . . . . 0.0 113.049 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.32 -26.42 52.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.56 -1.338 . . . . 0.0 111.96 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.43 -29.7 69.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.372 1.069 . . . . 0.0 113.024 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -103.48 -10.45 18.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.425 1.49 . . . . 0.0 114.422 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.11 -40.34 2.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.247 1.019 . . . . 0.0 113.105 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.65 -14.9 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.534 -1.354 . . . . 0.0 112.461 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 p -61.7 -19.17 62.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.106 1.763 . . . . 0.0 113.914 160.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.39 9.51 16.87 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.363 2.265 . . . . 0.0 110.943 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.81 64.94 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-O 117.118 -1.935 . . . . 0.0 116.916 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.05 6.97 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.853 2.326 . . . . 0.0 113.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.07 134.14 40.13 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -161.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.82 58.04 0.52 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.998 2.237 . . . . 0.0 115.055 169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 133.23 49.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.088 1.355 . . . . 0.0 112.172 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -132.61 112.85 12.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.507 1.523 . . . . 0.0 110.223 167.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.0 mt -133.46 133.2 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.496 1.518 . . . . 0.0 108.529 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.26 35.22 87.67 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 119.547 -0.585 . . . . 0.0 113.465 -175.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.06 33.79 19.44 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -137.69 130.76 30.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.635 -1.291 . . . . 0.0 113.395 165.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -73.93 110.34 8.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.719 1.208 . . . . 0.0 110.299 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -152.5 119.62 5.86 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.931 1.292 . . . . 0.0 110.094 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.72 175.62 5.54 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.655 0.741 . . . . 0.0 112.509 -168.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.24 157.89 70.15 Favored Pre-proline 0 N--CA 1.479 1.003 0 O-C-N 120.96 -1.087 . . . . 0.0 113.598 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.2 1.62 8.93 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.44 2.76 . . . . 0.0 115.092 -170.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.257 1.467 0 C-N-CA 125.38 1.472 . . . . 0.0 114.881 -174.4 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.93 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -142.27 -0.49 1.26 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.88 1.672 . . . . 0.0 115.191 -171.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.04 170.68 8.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.832 1.653 . . . . 0.0 112.751 -173.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.6 156.47 36.73 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.768 1.227 . . . . 0.0 111.839 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.41 146.99 50.0 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -80.9 79.97 7.46 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.297 -0.877 . . . . 0.0 108.745 160.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.02 -31.88 72.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.39 0.676 . . . . 0.0 111.979 -170.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -7.27 10.6 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 5.01 30.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.138 1.775 . . . . 0.0 113.765 171.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.03 -42.62 2.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.856 2.062 . . . . 0.0 112.755 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.72 -55.38 34.92 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.314 0.961 . . . . 0.0 113.4 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -64.45 -21.07 66.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.534 1.534 . . . . 0.0 113.954 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -83.07 -0.87 50.99 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.076 1.75 . . . . 0.0 111.994 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 -23.26 4.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.237 1.415 . . . . 0.0 113.069 166.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -66.17 -21.17 66.32 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.011 -1.681 . . . . 0.0 112.566 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 p -62.29 -13.8 32.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.935 1.694 . . . . 0.0 114.626 163.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.23 -12.89 18.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.66 1.984 . . . . 0.0 112.172 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 15.81 37.93 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 118.246 -1.308 . . . . 0.0 115.697 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -140.48 167.94 20.98 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.725 1.762 . . . . 0.0 113.849 173.74 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.83 121.41 28.44 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.572 -1.33 . . . . 0.0 112.034 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.8 119.49 5.73 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.804 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -132.27 94.52 3.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.513 1.125 . . . . 0.0 113.739 -173.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.5 p -96.33 154.96 16.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 113.527 173.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.74 -45.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.752 2.021 . . . . 0.0 111.064 168.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.18 34.31 4.89 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.958 1.742 . . . . 0.0 112.782 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 58.07 22.84 9.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.27 2.228 . . . . 0.0 115.561 -169.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.82 103.65 14.37 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.461 1.104 . . . . 0.0 111.281 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -81.8 55.71 2.81 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.63 1.172 . . . . 0.0 112.074 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.87 156.36 37.31 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.792 2.037 . . . . 0.0 109.821 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HB3' HD23 ' A' ' 19' ' ' LEU . 8.2 m -131.53 153.1 50.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.777 0.799 . . . . 0.0 113.097 -172.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -92.79 173.86 4.59 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.524 1.53 . . . . 0.0 112.52 -170.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -73.46 4.09 4.22 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.702 2.268 . . . . 0.0 116.295 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.248 0.975 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 -164.179 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.865 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -128.42 46.46 2.59 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.272 1.429 . . . . 0.0 109.4 170.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.89 23.85 5.32 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.995 2.118 . . . . 0.0 116.643 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -87.75 147.1 25.35 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.798 1.181 . . . . 0.0 112.483 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -91.22 100.02 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.747 0.784 . . . . 0.0 112.919 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -69.25 120.92 15.82 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 159.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.61 -7.67 0.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.39 67.29 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -160.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.38 10.69 4.47 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.222 1.009 . . . . 0.0 113.107 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -71.56 -52.99 15.27 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.02 -1.05 . . . . 0.0 112.068 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.22 -39.81 94.75 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.719 0.808 . . . . 0.0 111.279 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -56.57 -43.98 80.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.433 1.093 . . . . 0.0 111.823 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 t -75.15 -50.38 16.47 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.63 1.172 . . . . 0.0 111.104 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.16 -43.91 92.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.779 0.832 . . . . 0.0 112.105 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -60.63 -32.04 71.21 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.7 -1.25 . . . . 0.0 112.593 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 m -73.9 -26.11 60.36 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.615 1.166 . . . . 0.0 113.089 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.1 -20.61 32.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.458 1.026 . . . . 0.0 112.827 169.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.09 11.27 9.13 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.172 1.844 . . . . 0.0 116.332 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -179.74 7.03 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.662 1.731 . . . . 0.0 114.634 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 tp -84.74 136.72 33.59 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.036 1.335 . . . . 0.0 112.128 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.92 102.7 2.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.883 0.754 . . . . 0.0 112.549 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -96.21 123.9 40.01 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.338 1.055 . . . . 0.0 111.996 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 p -92.1 135.26 34.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.226 1.01 . . . . 0.0 112.84 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -139.42 113.73 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 127.485 2.314 . . . . 0.0 109.309 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.46 45.53 75.9 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 114.922 163.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.284 2.0 mp0 68.09 15.5 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.281 2.232 . . . . 0.0 116.881 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.41 166.06 12.77 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.392 2.277 . . . . 0.0 111.099 162.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -150.02 101.03 2.99 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.419 1.087 . . . . 0.0 112.829 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -116.21 139.12 50.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.648 1.579 . . . . 0.0 110.407 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.43 152.6 34.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 m -101.64 161.74 22.59 Favored Pre-proline 0 N--CA 1.487 1.404 0 C-N-CA 124.6 1.16 . . . . 0.0 112.614 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -65.79 13.61 0.12 Allowed 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 124.167 3.245 . . . . 0.0 117.951 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.248 1.013 0 C-N-CA 126.048 1.739 . . . . 0.0 112.753 -158.647 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.212 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -159.27 141.39 13.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.018 0.909 . . . . 0.0 113.064 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.27 14.61 2.31 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.41 1.084 . . . . 0.0 113.618 172.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -141.12 160.98 38.95 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.016 2.126 . . . . 0.0 111.076 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t -82.38 158.63 23.26 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -78.09 45.89 0.56 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.933 1.293 . . . . 0.0 113.101 167.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.41 -37.07 69.67 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.303 1.041 . . . . 0.0 112.582 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -17.26 8.73 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.736 2.014 . . . . 0.0 115.884 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.55 -26.91 10.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.095 1.358 . . . . 0.0 112.807 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.99 -39.04 83.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.264 1.826 . . . . 0.0 111.747 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.62 -27.06 6.15 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.518 1.527 . . . . 0.0 113.083 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.0 -44.03 7.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.99 1.316 . . . . 0.0 111.471 -175.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.3 p -76.63 -30.3 56.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.701 0.682 . . . . 0.0 112.825 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -31.04 70.08 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.398 -0.814 . . . . 0.0 112.243 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.82 -17.6 64.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.934 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 m -67.49 -17.99 64.89 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.427 1.091 . . . . 0.0 113.864 166.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.8 mt -105.04 -10.69 17.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.736 1.614 . . . . 0.0 112.533 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.41 11.93 65.8 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.182 1.372 . . . . 0.0 114.414 -166.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.7 158.06 16.98 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.024 1.412 . . . . 0.0 111.557 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.06 140.23 29.85 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 109.259 168.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 118.95 11.12 Favored Glycine 0 N--CA 1.467 0.751 0 O-C-N 121.433 -0.792 . . . . 0.0 113.689 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -143.15 159.71 41.78 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.95 1.7 . . . . 0.0 109.724 167.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.68 160.07 21.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.114 1.366 . . . . 0.0 112.397 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mt -138.11 122.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.759 1.224 . . . . 0.0 108.877 166.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 35.1 78.51 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.861 0.743 . . . . 0.0 114.143 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 59.97 31.03 20.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.647 1.979 . . . . 0.0 114.791 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.89 148.37 48.57 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.548 1.939 . . . . 0.0 110.009 167.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.49 113.51 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.36 1.464 . . . . 0.0 112.189 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -148.09 112.83 5.39 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.454 2.302 . . . . 0.0 108.61 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 p -127.68 177.9 6.49 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -155.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.12 148.43 67.52 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 126.113 1.765 . . . . 0.0 114.021 -152.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.66 154.76 59.49 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.693 2.262 . . . . 0.0 111.796 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.6 p90 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.113 2.165 . . . . 0.0 111.293 175.09 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.241 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -89.52 -19.35 25.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.285 1.834 . . . . 0.0 113.334 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.56 179.09 9.44 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.893 2.477 . . . . 0.0 109.715 171.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -94.61 173.48 7.59 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.487 1.115 . . . . 0.0 113.264 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.6 t -95.29 136.12 36.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.155 0.982 . . . . 0.0 112.741 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -122.51 129.86 52.43 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.905 1.682 . . . . 0.0 108.18 161.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.65 -45.49 92.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.32 0.963 . . . . 0.0 111.245 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -1.88 6.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.423 1.489 . . . . 0.0 114.87 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.72 -37.09 4.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.198 1.399 . . . . 0.0 112.378 168.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.13 -33.72 50.28 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.656 1.183 . . . . 0.0 112.637 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.2 -38.73 27.0 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.639 0.775 . . . . 0.0 112.403 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.32 -36.42 83.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.458 1.503 . . . . 0.0 112.115 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -77.5 -7.63 56.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 113.003 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.31 -30.82 7.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.684 1.594 . . . . 0.0 112.715 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -52.91 -41.5 64.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.648 1.979 . . . . 0.0 111.315 168.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 p -67.31 -7.52 25.16 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.035 1.734 . . . . 0.0 114.808 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.75 -27.98 8.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.5 1.92 . . . . 0.0 112.43 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.93 12.37 16.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.328 1.442 . . . . 0.0 115.431 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -176.48 4.11 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.478 1.639 . . . . 0.0 112.568 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.6 mt -95.71 150.25 20.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.258 0.936 . . . . 0.0 112.817 -172.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.93 84.6 1.37 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 124.957 1.265 . . . . 0.0 112.592 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -98.32 88.26 4.11 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.214 1.007 . . . . 0.0 110.842 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.42 133.08 41.22 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.96 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.78 139.67 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.543 1.537 . . . . 0.0 108.826 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 40.89 99.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.894 0.759 . . . . 0.0 112.813 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 53.58 34.13 17.91 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 114.203 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -130.37 131.4 45.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.864 1.266 . . . . 0.0 110.508 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.9 t -76.15 110.49 10.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.728 0.775 . . . . 0.0 110.522 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.65 170.04 20.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.898 2.079 . . . . 0.0 111.089 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.41 179.61 4.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.76 1.224 . . . . 0.0 111.698 -167.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.64 148.97 80.48 Favored Pre-proline 0 N--CA 1.475 0.783 0 O-C-N 121.49 -0.756 . . . . 0.0 112.993 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.63 -2.65 12.81 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.734 2.956 . . . . 0.0 114.299 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 116.701 -1.619 . . . . 0.0 113.818 -169.09 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m 59.46 25.02 13.72 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.76 127.34 16.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 t80 63.61 162.49 0.11 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.205 3.002 . . . . 0.0 117.562 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.2 t -164.75 161.98 20.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.213 1.805 . . . . 0.0 111.986 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -110.07 114.4 27.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 109.089 156.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.3 -61.16 0.98 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.458 1.103 . . . . 0.0 111.844 -174.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.49 -11.55 60.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -29.54 13.86 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.055 0.942 . . . . 0.0 112.485 163.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.9 -43.46 71.71 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.371 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -45.79 -42.42 12.14 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.807 1.243 . . . . 0.0 112.349 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.05 -42.42 63.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.738 1.215 . . . . 0.0 110.999 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 m -69.08 -18.45 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.762 1.225 . . . . 0.0 112.826 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.69 -14.67 20.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.354 1.461 . . . . 0.0 114.495 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -33.47 74.8 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.519 -1.363 . . . . 0.0 114.596 -168.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -73.19 -12.32 60.83 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.67 0.56 57.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.803 0.841 . . . . 0.0 111.95 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.96 31.72 64.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.277 0.941 . . . . 0.0 114.605 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -144.74 -172.89 3.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.487 1.115 . . . . 0.0 113.064 -178.485 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.29 145.58 24.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 111.51 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 121.62 6.84 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 167.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -146.25 135.67 22.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.813 1.245 . . . . 0.0 112.471 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -78.79 149.24 32.66 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.964 0.906 . . . . 0.0 113.22 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.34 -44.15 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.851 1.26 . . . . 0.0 111.816 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.77 56.23 0.68 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.294 1.902 . . . . 0.0 109.483 165.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.06 0.04 0.26 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.623 2.769 . . . . 0.0 117.044 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -102.05 150.5 23.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.394 1.877 . . . . 0.0 111.502 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.11 126.09 26.09 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.529 1.157 . . . . 0.0 113.704 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -139.62 159.96 40.95 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 129.2 3.0 . . . . 0.0 108.419 162.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.8 m -106.89 155.42 19.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.151 0.581 . . . . 0.0 111.851 169.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -66.12 147.05 99.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -168.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -93.58 3.98 3.11 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.463 2.775 . . . . 0.0 115.023 -159.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.26 1.657 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -171.53 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 63.78 -30.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.235 2.68 . . . . 0.0 118.235 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.38 26.22 1.49 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.545 1.52 . . . . 0.0 114.89 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -144.17 139.51 28.81 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.103 1.361 . . . . 0.0 110.715 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.9 162.82 40.92 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.867 2.067 . . . . 0.0 109.484 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -74.68 60.37 0.91 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.595 -1.316 . . . . 0.0 110.438 164.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.88 -45.27 93.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.733 1.213 . . . . 0.0 111.313 -163.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.0 61.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.821 1.248 . . . . 0.0 114.292 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.6 -37.07 10.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.919 1.288 . . . . 0.0 112.879 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.41 -33.86 65.18 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.016 -1.052 . . . . 0.0 112.408 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.02 -20.27 56.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.583 1.153 . . . . 0.0 113.361 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.84 -44.99 46.19 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.27 -0.894 . . . . 0.0 111.396 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -72.81 -42.86 63.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.943 0.897 . . . . 0.0 111.644 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.42 -29.94 64.17 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -30.14 71.14 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 112.249 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -71.62 -7.67 49.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.035 1.334 . . . . 0.0 113.629 171.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -104.57 5.22 33.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.249 1.82 . . . . 0.0 112.355 166.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.62 89.36 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 116.685 -2.175 . . . . 0.0 116.257 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.37 -176.35 3.79 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 121.052 2.426 . . . . 0.0 115.579 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.54 137.69 33.74 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.616 1.566 . . . . 0.0 109.984 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.47 98.59 1.89 Allowed Glycine 0 N--CA 1.465 0.58 0 C-N-CA 124.155 0.883 . . . . 0.0 112.145 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -131.81 122.81 26.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.291 1.036 . . . . 0.0 110.509 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.0 p -111.88 157.82 20.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -119.44 -30.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.833 1.253 . . . . 0.0 112.963 -157.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.49 28.44 4.49 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.779 1.657 . . . . 0.0 113.666 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 55.58 41.35 30.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.152 1.781 . . . . 0.0 113.481 -170.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -140.43 114.03 8.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.693 1.197 . . . . 0.0 108.618 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.7 t -54.17 126.55 23.31 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 122.768 1.27 . . . . 0.0 114.232 -157.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.31 157.06 46.55 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 128.602 2.761 . . . . 0.0 110.001 -171.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -116.25 169.36 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.401 1.08 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.79 150.51 96.55 Favored Pre-proline 0 N--CA 1.477 0.896 0 O-C-N 120.784 -1.197 . . . . 0.0 113.439 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -83.34 -17.21 6.61 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.79 2.993 . . . . 0.0 113.736 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 p90 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.114 1.765 . . . . 0.0 113.401 -176.696 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.914 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' H ' ' CD ' ' A' ' 27' ' ' GLU . 43.2 p -82.74 -26.56 31.81 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -170.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.19 137.04 16.19 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.313 1.445 . . . . 0.0 112.277 -175.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -59.96 150.21 29.59 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.0 t -72.96 128.69 36.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.899 1.68 . . . . 0.0 114.175 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -142.08 91.0 2.3 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.757 2.023 . . . . 0.0 109.545 167.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.21 -38.93 92.8 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.987 -1.071 . . . . 0.0 112.709 -167.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.21 -12.31 61.56 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.76 -30.84 11.85 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.55 1.14 . . . . 0.0 112.153 167.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.27 -40.9 74.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.542 1.537 . . . . 0.0 112.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.23 -41.26 65.22 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 111.056 169.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.64 -30.57 69.31 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.829 0.851 . . . . 0.0 112.528 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.9 m -76.84 -44.13 33.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.1 m -74.78 -36.21 62.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 113.334 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -32.12 72.66 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.509 -1.369 . . . . 0.0 112.78 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -62.89 -16.07 57.45 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.64 -15.23 24.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.181 1.392 . . . . 0.0 112.483 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.87 7.32 29.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.575 1.559 . . . . 0.0 116.741 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.95 -175.08 3.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.27 1.535 . . . . 0.0 114.05 -174.022 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.72 144.49 25.68 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.398 1.079 . . . . 0.0 111.257 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.1 132.52 11.05 Favored Glycine 0 N--CA 1.465 0.579 0 C-N-CA 124.382 0.991 . . . . 0.0 113.175 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.53 162.1 32.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 174.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.15 98.91 12.03 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.153 -0.967 . . . . 0.0 110.773 169.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.1 mm -117.38 119.63 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.964 1.706 . . . . 0.0 109.973 -173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.17 37.53 94.67 Favored Glycine 0 CA--C 1.534 1.253 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -161.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.401 0.3 OUTLIER 47.76 33.65 3.31 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.876 2.47 . . . . 0.0 116.502 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 2' ' ' SER . 13.5 pt-20 -136.8 160.57 38.46 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.209 1.804 . . . . 0.0 112.024 167.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.44 116.1 6.38 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.703 -0.623 . . . . 0.0 112.559 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -143.08 153.59 43.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.571 2.349 . . . . 0.0 109.925 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.1 m -106.21 157.07 17.84 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.995 -1.065 . . . . 0.0 113.253 -171.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.17 149.85 53.63 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -164.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -84.7 41.15 0.93 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.742 4.295 . . . . 0.0 112.265 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.7 t80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 128.145 2.578 . . . . 0.0 110.315 -173.379 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.05 -35.78 73.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.565 0.746 . . . . 0.0 111.745 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.81 -22.13 66.54 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.41 31.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.661 1.184 . . . . 0.0 113.259 170.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.69 -46.69 12.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.232 1.013 . . . . 0.0 111.273 172.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.08 -39.45 66.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.523 1.529 . . . . 0.0 112.675 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.51 -4.7 12.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.8 p -103.0 1.43 33.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.98 1.712 . . . . 0.0 114.16 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.03 -45.08 0.85 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.653 1.581 . . . . 0.0 112.868 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -60.83 -31.5 70.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.642 1.577 . . . . 0.0 114.324 -167.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 m -80.54 -5.28 56.5 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.68 -2.54 38.06 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.132 1.773 . . . . 0.0 112.599 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.17 22.95 62.11 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 118.763 -1.021 . . . . 0.0 115.014 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.63 171.05 15.02 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.141 1.471 . . . . 0.0 113.27 168.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 tp -90.18 136.65 32.92 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.423 1.889 . . . . 0.0 111.402 -174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 133.42 26.25 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.637 0.637 . . . . 0.0 113.586 166.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -123.79 133.37 53.83 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.229 1.812 . . . . 0.0 111.543 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.67 129.36 36.72 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.423 1.106 . . . . 0.0 113.223 168.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.7 mt -137.27 127.84 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.082 1.753 . . . . 0.0 107.921 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.67 37.92 95.04 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.956 0.789 . . . . 0.0 113.945 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.259 4.5 mp0 56.18 21.96 5.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.626 2.371 . . . . 0.0 115.484 -170.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.22 108.34 19.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.952 1.301 . . . . 0.0 110.283 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -89.24 125.9 35.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.666 1.186 . . . . 0.0 112.493 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -138.03 -179.55 5.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 129.221 3.009 . . . . 0.0 109.483 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.7 m -114.56 158.29 21.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.002 -1.061 . . . . 0.0 111.393 165.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.482 1.135 0 C-N-CA 123.702 0.801 . . . . 0.0 112.813 -179.568 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 120.58 0.229 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.57 -36.44 83.82 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.781 -0.574 . . . . 0.0 112.049 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.65 -17.6 63.51 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.496 1.118 . . . . 0.0 113.283 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.77 -3.61 57.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.035 0.934 . . . . 0.0 112.644 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.7 t -123.38 -57.4 1.67 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.57 -40.71 88.25 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.699 -1.251 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.33 -10.8 57.45 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.38 -25.23 23.94 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.216 1.371 . . . . 0.0 113.125 166.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.75 -40.54 7.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.485 1.114 . . . . 0.0 113.503 -169.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -62.61 -33.41 74.94 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -165.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -71.09 -2.07 14.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 173.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -98.14 -8.92 26.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.268 1.427 . . . . 0.0 112.628 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.87 71.64 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.299 -1.279 . . . . 0.0 115.621 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -120.62 168.09 11.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.833 1.817 . . . . 0.0 113.05 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -92.68 143.94 25.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.609 1.164 . . . . 0.0 111.256 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.49 117.52 5.46 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 125.017 1.294 . . . . 0.0 112.402 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -138.69 174.53 10.43 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.02 1.728 . . . . 0.0 112.274 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -160.29 154.39 23.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.199 1.4 . . . . 0.0 112.543 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mm -126.95 -37.96 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.626 1.57 . . . . 0.0 112.498 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 30.35 10.3 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.775 1.655 . . . . 0.0 111.802 172.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 52.81 35.78 19.69 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -124.59 128.17 48.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.977 1.311 . . . . 0.0 109.192 166.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.09 116.11 17.45 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.337 -0.852 . . . . 0.0 112.188 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -136.23 119.63 16.88 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.45 1.9 . . . . 0.0 109.832 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.57 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.4 m -75.08 151.12 38.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -171.443 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.391 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.952 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.22 -27.54 65.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 113.038 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.53 65.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.931 1.293 . . . . 0.0 114.335 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.41 -26.47 14.84 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.705 1.202 . . . . 0.0 112.118 170.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -71.31 -50.69 29.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.195 0.998 . . . . 0.0 113.253 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.93 -40.16 87.53 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.108 0.867 . . . . 0.0 112.047 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.25 -11.49 50.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -95.1 -6.13 42.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.215 1.406 . . . . 0.0 113.28 170.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.6 m -115.7 -46.91 2.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.876 1.67 . . . . 0.0 112.647 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -65.14 -23.77 67.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.372 -1.455 . . . . 0.0 114.504 -169.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -60.55 -30.27 69.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.782 0.833 . . . . 0.0 112.84 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.73 -6.27 57.54 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.443 1.897 . . . . 0.0 112.832 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.51 20.27 74.78 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.569 -1.128 . . . . 0.0 115.085 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -121.81 171.06 9.17 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.244 1.522 . . . . 0.0 113.268 169.453 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 tp -89.19 133.93 34.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.56 2.344 . . . . 0.0 110.55 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.4 121.3 5.37 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.376 0.988 . . . . 0.0 111.974 165.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -119.19 132.05 55.91 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.088 0.955 . . . . 0.0 113.498 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.5 m -84.19 132.8 34.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 112.621 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -137.25 126.14 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.757 2.023 . . . . 0.0 108.709 171.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.72 33.11 66.7 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.648 -0.657 . . . . 0.0 113.456 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.26 30.3 mt-10 62.89 6.69 2.27 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.864 2.065 . . . . 0.0 116.294 -175.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -91.47 165.9 13.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.798 1.639 . . . . 0.0 109.77 156.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -139.21 137.97 36.46 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.636 -1.29 . . . . 0.0 113.485 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -149.68 147.44 28.08 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.482 2.313 . . . . 0.0 109.205 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.2 m -73.11 166.04 23.87 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.743 1.61 . . . . 0.0 112.66 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.822 1.249 . . . . 0.0 112.844 176.587 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 tp -149.62 -22.54 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -171.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.93 79.76 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -164.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.52 -7.08 42.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.605 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.36 -52.65 44.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.24 1.416 . . . . 0.0 109.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.12 -45.43 61.58 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.857 0.863 . . . . 0.0 112.42 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.99 -26.62 68.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.102 0.961 . . . . 0.0 112.623 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 m -93.03 -30.62 15.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.325 1.85 . . . . 0.0 112.596 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -63.88 -24.39 67.72 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.111 -0.993 . . . . 0.0 112.325 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -46.24 72.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.198 1.399 . . . . 0.0 113.084 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -76.74 -2.11 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.76 -20.32 20.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.761 1.225 . . . . 0.0 112.32 163.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.66 77.58 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.0 1.286 . . . . 0.0 114.005 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -103.44 157.66 16.88 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.627 1.171 . . . . 0.0 110.228 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.92 145.81 35.92 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 107.397 161.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.1 116.16 4.7 Favored Glycine 0 N--CA 1.467 0.755 0 O-C-N 120.595 -1.316 . . . . 0.0 111.893 168.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -140.29 119.27 12.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.871 0.869 . . . . 0.0 110.225 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 p -77.75 149.07 34.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.655 1.582 . . . . 0.0 113.679 -168.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.9 mm -135.53 131.32 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.042 1.737 . . . . 0.0 109.498 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.23 28.79 67.37 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.824 -0.547 . . . . 0.0 113.196 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.273 17.3 mt-10 58.2 13.11 2.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.817 2.847 . . . . 0.0 115.814 -169.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.82 158.02 16.43 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.383 2.273 . . . . 0.0 111.509 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -63.38 122.62 16.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.09 0.956 . . . . 0.0 111.683 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -148.77 166.82 27.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.669 2.787 . . . . 0.0 110.09 171.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.489 ' HB2' HD23 ' A' ' 19' ' ' LEU . 12.5 m -131.37 160.79 34.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.558 1.143 . . . . 0.0 111.482 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.487 1.379 0 C-N-CA 127.501 2.32 . . . . 0.0 112.161 -170.018 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.9 tp -79.07 -34.04 44.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.12 0.418 . . . . 0.0 112.091 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.09 95.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.536 -0.727 . . . . 0.0 111.391 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.4 38.16 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.741 -1.224 . . . . 0.0 113.96 173.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.59 -40.2 11.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.498 1.519 . . . . 0.0 110.996 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.5 -42.0 81.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.538 -1.351 . . . . 0.0 111.187 164.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.05 -16.35 51.31 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.659 -1.276 . . . . 0.0 113.636 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -97.65 -27.15 14.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 113.781 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.5 m -108.74 -42.93 4.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 114.654 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.69 -31.33 70.59 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.358 1.463 . . . . 0.0 114.263 -165.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -61.78 -19.84 62.94 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 114.233 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.6 -5.93 55.27 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.834 1.654 . . . . 0.0 112.757 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.52 10.65 83.11 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.541 -1.144 . . . . 0.0 115.266 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.97 170.47 8.32 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.102 1.451 . . . . 0.0 112.732 170.299 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.0 tp -87.13 134.95 33.46 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.234 1.814 . . . . 0.0 110.554 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.23 132.97 13.28 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.135 0.398 . . . . 0.0 112.563 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -134.36 148.97 50.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.553 1.541 . . . . 0.0 109.101 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.36 118.95 27.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.751 1.159 . . . . 0.0 112.911 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -137.17 131.76 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.557 1.543 . . . . 0.0 109.445 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 33.46 85.82 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 121.801 -0.562 . . . . 0.0 112.448 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.66 14.86 8.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.825 2.05 . . . . 0.0 115.597 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.25 136.48 53.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.922 1.289 . . . . 0.0 112.754 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.85 121.4 17.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 110.671 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -139.83 105.68 5.17 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.388 2.675 . . . . 0.0 108.607 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.9 m -68.75 156.22 38.71 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.149 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.476 0.851 0 O-C-N 121.191 -0.943 . . . . 0.0 111.663 179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -70.21 -33.57 71.85 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.436 0.694 . . . . 0.0 111.824 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.95 83.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.74 0.816 . . . . 0.0 112.627 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.73 62.53 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.314 1.046 . . . . 0.0 113.48 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -94.21 -42.19 9.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.184 1.394 . . . . 0.0 112.342 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -40.61 58.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.703 1.601 . . . . 0.0 113.763 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -12.17 55.08 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 p -90.33 -7.81 52.37 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.007 1.323 . . . . 0.0 113.384 171.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.05 -34.31 5.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.211 1.805 . . . . 0.0 112.51 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.6 -27.05 68.93 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.762 1.225 . . . . 0.0 114.187 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 p -69.63 -14.05 62.62 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.877 1.671 . . . . 0.0 114.032 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.76 0.78 22.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.982 1.713 . . . . 0.0 112.944 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.85 -17.83 53.36 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.76 1.647 . . . . 0.0 115.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 176.0 5.3 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.073 1.436 . . . . 0.0 113.518 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 mt -91.86 155.43 18.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.389 1.476 . . . . 0.0 111.59 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 148.73 49.54 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.992 -0.442 . . . . 0.0 113.363 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.17 130.05 38.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.068 1.747 . . . . 0.0 109.751 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -159.51 121.48 3.37 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -136.22 135.14 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 127.332 2.253 . . . . 0.0 108.113 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.43 34.01 73.44 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 113.752 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 58.11 5.46 0.4 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.563 2.345 . . . . 0.0 116.668 -171.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -89.52 108.42 19.65 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.825 -1.172 . . . . 0.0 112.403 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.02 122.61 29.02 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.44 1.114 . . . . 0.0 113.326 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -135.11 179.29 6.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.891 3.276 . . . . 0.0 109.388 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 m -120.65 160.15 23.86 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.042 -1.037 . . . . 0.0 111.206 167.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.476 0.859 0 O-C-N 121.577 -0.702 . . . . 0.0 112.172 -178.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.4 tp -114.68 -49.48 2.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.684 1.193 . . . . 0.0 113.131 -168.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.28 66.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.496 0.719 . . . . 0.0 112.634 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.93 61.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.541 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -84.33 -44.38 13.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.331 1.053 . . . . 0.0 110.216 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.9 -23.55 67.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.727 -1.233 . . . . 0.0 112.736 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.88 -2.28 56.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.511 1.524 . . . . 0.0 114.185 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -133.92 22.93 3.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.326 1.051 . . . . 0.0 113.584 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -130.65 -32.97 1.66 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -72.93 -24.11 60.78 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.981 1.719 . . . . 0.0 112.927 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -54.54 -33.05 59.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.587 1.155 . . . . 0.0 112.551 162.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.74 -9.58 34.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.089 2.155 . . . . 0.0 113.258 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.7 61.4 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.528 2.013 . . . . 0.0 116.409 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.69 157.82 18.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.942 1.871 . . . . 0.0 112.718 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.62 128.73 33.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.786 1.234 . . . . 0.0 110.193 164.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 114.69 6.88 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.331 0.967 . . . . 0.0 113.725 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -150.46 164.04 36.9 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.497 2.319 . . . . 0.0 111.647 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.3 177.95 4.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.75 1.62 . . . . 0.0 112.053 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -94.1 -46.6 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.107 -0.996 . . . . 0.0 110.247 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.91 11.53 0.06 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.457 1.503 . . . . 0.0 114.468 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.33 -58.13 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.689 1.596 . . . . 0.0 111.358 -160.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.12 166.23 32.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.17 110.56 1.65 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.916 1.686 . . . . 0.0 111.716 -171.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -147.54 81.19 1.51 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.442 3.097 . . . . 0.0 106.728 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.94 170.46 10.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.686 1.594 . . . . 0.0 114.344 -162.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -149.682 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.4 t30 . . . . . 0 C--O 1.237 0.416 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.61 -39.4 76.78 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.465 1.106 . . . . 0.0 112.182 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.24 13.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.129 1.772 . . . . 0.0 114.925 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.81 -10.48 14.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.288 1.435 . . . . 0.0 113.438 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.39 -40.82 12.48 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.203 1.401 . . . . 0.0 111.837 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.56 -44.21 72.71 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.103 -0.998 . . . . 0.0 110.354 164.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.33 -2.33 13.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.594 1.157 . . . . 0.0 113.974 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -113.18 -0.76 14.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.527 1.931 . . . . 0.0 113.631 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.59 -48.35 1.93 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 111.297 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -72.19 -14.57 61.84 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.717 -1.239 . . . . 0.0 114.016 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.2 p -65.84 -22.6 66.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.505 1.522 . . . . 0.0 113.437 165.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.8 -18.34 23.01 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.418 1.487 . . . . 0.0 112.717 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 0.75 32.67 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.413 1.959 . . . . 0.0 115.934 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.17 161.12 18.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.465 1.632 . . . . 0.0 113.292 175.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.41 135.29 36.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.134 1.374 . . . . 0.0 110.779 -173.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.39 131.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.663 0.649 . . . . 0.0 113.764 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.52 152.81 52.03 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.657 1.583 . . . . 0.0 112.73 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.6 m -97.82 66.27 1.89 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.683 1.593 . . . . 0.0 111.355 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 127.21 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.474 1.11 . . . . 0.0 109.998 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 29.8 75.69 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.672 -0.642 . . . . 0.0 112.775 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 52.35 35.58 17.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.687 1.995 . . . . 0.0 113.267 -168.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' ' HE3' ' A' ' 29' ' ' LYS . 61.1 tt0 -141.51 141.89 33.59 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.256 1.422 . . . . 0.0 109.948 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.3 t -73.7 106.39 5.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.626 -1.296 . . . . 0.0 111.568 -170.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 27' ' ' GLU . 89.2 mttt -138.72 106.37 5.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.329 1.852 . . . . 0.0 108.999 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.4 m -72.38 159.66 33.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.324 0.65 . . . . 0.0 112.414 -170.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.476 0.838 0 O-C-N 121.463 -0.773 . . . . 0.0 113.007 -174.193 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t30 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.16 -43.83 78.72 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.85 10.14 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.449 1.9 . . . . 0.0 114.627 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.4 -25.78 3.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.413 1.485 . . . . 0.0 111.98 162.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -73.64 -45.45 52.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.708 1.203 . . . . 0.0 111.973 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.63 -43.49 72.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.487 0.715 . . . . 0.0 110.546 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.46 -9.2 58.25 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.89 1.676 . . . . 0.0 113.78 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -104.5 -7.2 19.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.675 1.99 . . . . 0.0 112.867 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.5 m -117.31 -38.41 3.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.271 1.428 . . . . 0.0 114.039 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.7 -20.32 65.95 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.9 p -64.85 -20.2 66.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.436 1.016 . . . . 0.0 113.581 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -87.57 -10.06 52.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.031 1.332 . . . . 0.0 113.264 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.55 -6.54 77.63 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.827 1.679 . . . . 0.0 115.507 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -103.01 174.93 5.65 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.744 1.272 . . . . 0.0 111.177 172.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -104.18 152.73 21.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.221 1.008 . . . . 0.0 111.264 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.72 100.99 2.04 Favored Glycine 0 N--CA 1.466 0.678 0 C-N-CA 124.603 1.097 . . . . 0.0 112.41 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -129.1 123.31 31.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.879 1.272 . . . . 0.0 109.815 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.37 155.71 34.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.857 1.263 . . . . 0.0 113.495 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.64 133.51 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.591 1.556 . . . . 0.0 108.118 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.48 92.09 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 121.9 -0.5 . . . . 0.0 113.733 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 65.93 17.72 10.89 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.454 1.902 . . . . 0.0 115.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.05 158.74 42.79 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.804 1.241 . . . . 0.0 112.089 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.49 124.79 24.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.929 -1.107 . . . . 0.0 113.249 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.64 155.61 44.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.079 2.552 . . . . 0.0 109.382 166.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.6 m -93.59 165.61 12.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.65 -0.656 . . . . 0.0 111.644 168.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.482 1.146 0 C-N-CA 124.564 1.146 . . . . 0.0 113.988 -177.025 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 tp -71.13 -43.88 66.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 112.036 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.107 0.563 . . . . 0.0 112.297 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.42 -24.28 42.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.948 . . . . 0.0 113.304 171.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.2 -37.73 66.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.528 1.131 . . . . 0.0 110.856 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.59 -39.06 48.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.016 0.926 . . . . 0.0 112.128 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.33 -13.67 62.21 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.92 1.288 . . . . 0.0 113.976 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -102.14 -5.06 24.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.963 1.705 . . . . 0.0 113.503 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -122.42 -44.14 2.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.599 1.16 . . . . 0.0 113.25 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -58.89 -32.45 69.53 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.468 -1.395 . . . . 0.0 113.11 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -66.11 -15.59 63.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.035 2.134 . . . . 0.0 115.308 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.41 -8.61 26.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.068 1.747 . . . . 0.0 113.182 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 11.99 54.48 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.064 1.316 . . . . 0.0 115.466 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.77 175.99 9.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.801 1.8 . . . . 0.0 113.111 178.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.38 143.86 26.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.985 1.314 . . . . 0.0 111.424 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.22 130.92 10.48 Favored Glycine 0 N--CA 1.469 0.869 0 C-N-CA 123.823 0.725 . . . . 0.0 112.762 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -139.51 150.67 45.39 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 98.8 m -85.51 70.89 10.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.989 0.915 . . . . 0.0 110.808 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.68 134.58 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.966 1.306 . . . . 0.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 24.67 63.07 Favored Glycine 0 CA--C 1.542 1.736 0 O-C-N 120.727 -1.233 . . . . 0.0 112.995 -165.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 61.21 16.41 7.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.956 2.502 . . . . 0.0 115.371 -166.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -131.55 149.64 52.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.936 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.89 121.2 16.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.2 -1.562 . . . . 0.0 113.251 -167.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -141.26 178.3 7.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 128.895 2.878 . . . . 0.0 109.434 167.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 5.6 m -114.18 159.76 19.74 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.778 -1.201 . . . . 0.0 112.351 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.484 1.233 0 O-C-N 121.32 -0.862 . . . . 0.0 113.085 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.83 -36.05 78.11 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.354 -0.841 . . . . 0.0 112.496 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.91 44.92 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.71 -21.34 12.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.983 1.313 . . . . 0.0 112.62 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.99 -46.4 68.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.838 0.855 . . . . 0.0 111.078 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.74 -54.94 22.87 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.377 1.071 . . . . 0.0 111.699 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.01 -11.61 60.39 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.8 m -91.68 -40.25 11.39 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.066 0.946 . . . . 0.0 111.376 172.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.68 -37.19 86.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.158 0.983 . . . . 0.0 111.38 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -57.1 -30.79 64.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -58.1 -21.91 48.34 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.49 1.496 . . . . 0.0 114.27 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.94 -11.16 29.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.181 1.792 . . . . 0.0 112.843 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.52 9.63 59.98 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.097 1.332 . . . . 0.0 116.228 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -124.1 -165.9 1.42 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.345 1.458 . . . . 0.0 111.639 177.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.04 164.94 17.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.97 1.708 . . . . 0.0 112.015 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.18 148.72 21.58 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.316 0.96 . . . . 0.0 115.029 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -136.62 148.52 47.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.484 1.913 . . . . 0.0 111.427 164.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.65 129.25 37.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.085 0.954 . . . . 0.0 111.253 165.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.9 mt -132.82 120.53 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.941 1.296 . . . . 0.0 108.525 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.88 31.94 82.51 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.793 -0.567 . . . . 0.0 113.471 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 62.38 18.83 10.62 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.722 2.009 . . . . 0.0 115.154 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.51 156.25 42.48 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.709 -1.245 . . . . 0.0 111.559 174.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.72 131.22 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.499 1.52 . . . . 0.0 113.26 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -140.8 149.9 42.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 129.048 2.939 . . . . 0.0 108.963 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 52.2 m -98.13 154.33 17.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.181 -1.574 . . . . 0.0 113.7 -177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 N--CA 1.481 1.076 0 C-N-CA 124.861 1.265 . . . . 0.0 113.318 -178.705 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.5 t30 . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.959 0.409 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.43 -20.28 25.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.539 1.135 . . . . 0.0 113.498 -173.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -58.68 5.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.321 1.448 . . . . 0.0 114.241 -161.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.97 29.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.149 1.38 . . . . 0.0 112.704 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 t -67.68 -48.05 67.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.218 1.007 . . . . 0.0 109.921 173.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -39.89 74.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.562 0.745 . . . . 0.0 112.854 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.76 -42.72 99.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.222 0.609 . . . . 0.0 111.121 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 p -67.64 -19.76 65.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.031 0.932 . . . . 0.0 113.437 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -88.75 -35.97 16.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.272 1.029 . . . . 0.0 111.423 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -29.57 70.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.221 -1.55 . . . . 0.0 112.451 173.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -54.21 -16.27 2.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.747 1.619 . . . . 0.0 114.512 165.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.6 -9.3 12.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.08 1.752 . . . . 0.0 113.269 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.99 13.88 70.81 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.799 1.08 . . . . 0.0 115.799 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -123.54 -175.9 3.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.024 1.329 . . . . 0.0 112.489 173.197 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.62 140.1 32.54 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.679 1.592 . . . . 0.0 111.337 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.22 131.92 11.0 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 124.743 1.163 . . . . 0.0 111.443 168.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -139.81 160.21 40.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.357 1.463 . . . . 0.0 113.166 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.65 110.09 13.47 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.196 -0.94 . . . . 0.0 109.956 166.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -127.85 128.92 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.814 1.646 . . . . 0.0 108.656 -174.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.57 32.39 61.21 Favored Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.317 -0.864 . . . . 0.0 113.382 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 59.94 21.0 10.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.847 2.059 . . . . 0.0 115.907 -171.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -134.82 133.88 40.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.537 . . . . 0.0 110.524 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.47 119.54 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.705 -1.247 . . . . 0.0 111.983 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -153.88 178.92 9.38 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.445 2.298 . . . . 0.0 110.956 -176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 3.2 m -101.96 154.54 18.86 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.805 -1.185 . . . . 0.0 114.117 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.715 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 120.895 0.378 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -48.88 -41.02 31.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.66 64.8 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.58 -21.98 18.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.087 . . . . 0.0 113.243 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 -29.0 16.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.083 0.953 . . . . 0.0 113.049 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.32 -26.42 52.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.56 -1.338 . . . . 0.0 111.96 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.43 -29.7 69.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.372 1.069 . . . . 0.0 113.024 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -103.48 -10.45 18.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.425 1.49 . . . . 0.0 114.422 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.11 -40.34 2.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.247 1.019 . . . . 0.0 113.105 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.65 -14.9 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.534 -1.354 . . . . 0.0 112.461 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 p -61.7 -19.17 62.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.106 1.763 . . . . 0.0 113.914 160.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.39 9.51 16.87 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.363 2.265 . . . . 0.0 110.943 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.81 64.94 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-O 117.118 -1.935 . . . . 0.0 116.916 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.05 6.97 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.853 2.326 . . . . 0.0 113.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.07 134.14 40.13 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -161.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.82 58.04 0.52 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.998 2.237 . . . . 0.0 115.055 169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 133.23 49.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.088 1.355 . . . . 0.0 112.172 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -132.61 112.85 12.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.507 1.523 . . . . 0.0 110.223 167.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.0 mt -133.46 133.2 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.496 1.518 . . . . 0.0 108.529 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.26 35.22 87.67 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 119.547 -0.585 . . . . 0.0 113.465 -175.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.06 33.79 19.44 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -137.69 130.76 30.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.635 -1.291 . . . . 0.0 113.395 165.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -73.93 110.34 8.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.719 1.208 . . . . 0.0 110.299 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -152.5 119.62 5.86 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.931 1.292 . . . . 0.0 110.094 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.72 175.62 5.54 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.655 0.741 . . . . 0.0 112.509 -168.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.479 1.003 0 O-C-N 120.96 -1.087 . . . . 0.0 113.598 -174.136 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.4 t30 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.02 -31.88 72.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.39 0.676 . . . . 0.0 111.979 -170.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -7.27 10.6 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 5.01 30.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.138 1.775 . . . . 0.0 113.765 171.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.03 -42.62 2.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.856 2.062 . . . . 0.0 112.755 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.72 -55.38 34.92 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.314 0.961 . . . . 0.0 113.4 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -64.45 -21.07 66.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.534 1.534 . . . . 0.0 113.954 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -83.07 -0.87 50.99 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.076 1.75 . . . . 0.0 111.994 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 -23.26 4.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.237 1.415 . . . . 0.0 113.069 166.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -66.17 -21.17 66.32 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.011 -1.681 . . . . 0.0 112.566 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 p -62.29 -13.8 32.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.935 1.694 . . . . 0.0 114.626 163.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.23 -12.89 18.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.66 1.984 . . . . 0.0 112.172 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 15.81 37.93 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 118.246 -1.308 . . . . 0.0 115.697 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -140.48 167.94 20.98 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.725 1.762 . . . . 0.0 113.849 173.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.83 121.41 28.44 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.572 -1.33 . . . . 0.0 112.034 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.8 119.49 5.73 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.804 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -132.27 94.52 3.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.513 1.125 . . . . 0.0 113.739 -173.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.5 p -96.33 154.96 16.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 113.527 173.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.74 -45.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.752 2.021 . . . . 0.0 111.064 168.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.18 34.31 4.89 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.958 1.742 . . . . 0.0 112.782 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 58.07 22.84 9.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.27 2.228 . . . . 0.0 115.561 -169.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.82 103.65 14.37 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.461 1.104 . . . . 0.0 111.281 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -81.8 55.71 2.81 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.63 1.172 . . . . 0.0 112.074 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.87 156.36 37.31 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.792 2.037 . . . . 0.0 109.821 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HB3' HD23 ' A' ' 19' ' ' LEU . 8.2 m -131.53 153.1 50.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.777 0.799 . . . . 0.0 113.097 -172.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.481 1.106 0 C-N-CA 125.524 1.53 . . . . 0.0 112.52 -170.501 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.61 -7.67 0.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.39 67.29 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -160.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.38 10.69 4.47 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.222 1.009 . . . . 0.0 113.107 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -71.56 -52.99 15.27 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.02 -1.05 . . . . 0.0 112.068 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.22 -39.81 94.75 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.719 0.808 . . . . 0.0 111.279 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -56.57 -43.98 80.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.433 1.093 . . . . 0.0 111.823 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 t -75.15 -50.38 16.47 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.63 1.172 . . . . 0.0 111.104 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.16 -43.91 92.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.779 0.832 . . . . 0.0 112.105 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -60.63 -32.04 71.21 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.7 -1.25 . . . . 0.0 112.593 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 m -73.9 -26.11 60.36 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.615 1.166 . . . . 0.0 113.089 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.1 -20.61 32.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.458 1.026 . . . . 0.0 112.827 169.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.09 11.27 9.13 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.172 1.844 . . . . 0.0 116.332 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -179.74 7.03 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.662 1.731 . . . . 0.0 114.634 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 tp -84.74 136.72 33.59 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.036 1.335 . . . . 0.0 112.128 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.92 102.7 2.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.883 0.754 . . . . 0.0 112.549 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -96.21 123.9 40.01 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.338 1.055 . . . . 0.0 111.996 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 p -92.1 135.26 34.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.226 1.01 . . . . 0.0 112.84 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -139.42 113.73 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 127.485 2.314 . . . . 0.0 109.309 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.46 45.53 75.9 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 114.922 163.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.284 2.0 mp0 68.09 15.5 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.281 2.232 . . . . 0.0 116.881 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.41 166.06 12.77 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.392 2.277 . . . . 0.0 111.099 162.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -150.02 101.03 2.99 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.419 1.087 . . . . 0.0 112.829 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -116.21 139.12 50.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.648 1.579 . . . . 0.0 110.407 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.43 152.6 34.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.487 1.404 0 C-N-CA 124.6 1.16 . . . . 0.0 112.614 -173.338 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.41 -37.07 69.67 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.303 1.041 . . . . 0.0 112.582 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -17.26 8.73 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.736 2.014 . . . . 0.0 115.884 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.55 -26.91 10.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.095 1.358 . . . . 0.0 112.807 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.99 -39.04 83.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.264 1.826 . . . . 0.0 111.747 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.62 -27.06 6.15 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.518 1.527 . . . . 0.0 113.083 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.0 -44.03 7.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.99 1.316 . . . . 0.0 111.471 -175.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.3 p -76.63 -30.3 56.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.701 0.682 . . . . 0.0 112.825 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -31.04 70.08 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.398 -0.814 . . . . 0.0 112.243 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.82 -17.6 64.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.934 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 m -67.49 -17.99 64.89 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.427 1.091 . . . . 0.0 113.864 166.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.8 mt -105.04 -10.69 17.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.736 1.614 . . . . 0.0 112.533 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.41 11.93 65.8 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.182 1.372 . . . . 0.0 114.414 -166.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.7 158.06 16.98 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.024 1.412 . . . . 0.0 111.557 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.06 140.23 29.85 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 109.259 168.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 118.95 11.12 Favored Glycine 0 N--CA 1.467 0.751 0 O-C-N 121.433 -0.792 . . . . 0.0 113.689 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -143.15 159.71 41.78 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.95 1.7 . . . . 0.0 109.724 167.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.68 160.07 21.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.114 1.366 . . . . 0.0 112.397 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mt -138.11 122.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.759 1.224 . . . . 0.0 108.877 166.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 35.1 78.51 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.861 0.743 . . . . 0.0 114.143 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 59.97 31.03 20.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.647 1.979 . . . . 0.0 114.791 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.89 148.37 48.57 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.548 1.939 . . . . 0.0 110.009 167.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.49 113.51 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.36 1.464 . . . . 0.0 112.189 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -148.09 112.83 5.39 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.454 2.302 . . . . 0.0 108.61 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 p -127.68 177.9 6.49 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -155.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.478 0.927 0 C-N-CA 126.113 1.765 . . . . 0.0 114.021 -152.188 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.65 -45.49 92.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.32 0.963 . . . . 0.0 111.245 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -1.88 6.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.423 1.489 . . . . 0.0 114.87 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.72 -37.09 4.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.198 1.399 . . . . 0.0 112.378 168.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.13 -33.72 50.28 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.656 1.183 . . . . 0.0 112.637 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.2 -38.73 27.0 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.639 0.775 . . . . 0.0 112.403 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.32 -36.42 83.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.458 1.503 . . . . 0.0 112.115 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -77.5 -7.63 56.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 113.003 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.31 -30.82 7.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.684 1.594 . . . . 0.0 112.715 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -52.91 -41.5 64.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.648 1.979 . . . . 0.0 111.315 168.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 p -67.31 -7.52 25.16 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.035 1.734 . . . . 0.0 114.808 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.75 -27.98 8.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.5 1.92 . . . . 0.0 112.43 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.93 12.37 16.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.328 1.442 . . . . 0.0 115.431 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -176.48 4.11 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.478 1.639 . . . . 0.0 112.568 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.6 mt -95.71 150.25 20.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.258 0.936 . . . . 0.0 112.817 -172.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.93 84.6 1.37 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 124.957 1.265 . . . . 0.0 112.592 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -98.32 88.26 4.11 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.214 1.007 . . . . 0.0 110.842 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.42 133.08 41.22 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.96 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.78 139.67 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.543 1.537 . . . . 0.0 108.826 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 40.89 99.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.894 0.759 . . . . 0.0 112.813 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 53.58 34.13 17.91 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 114.203 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -130.37 131.4 45.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.864 1.266 . . . . 0.0 110.508 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.9 t -76.15 110.49 10.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.728 0.775 . . . . 0.0 110.522 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.65 170.04 20.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.898 2.079 . . . . 0.0 111.089 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.41 179.61 4.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.76 1.224 . . . . 0.0 111.698 -167.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.475 0.783 0 O-C-N 121.49 -0.756 . . . . 0.0 112.993 -176.754 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.3 -61.16 0.98 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.458 1.103 . . . . 0.0 111.844 -174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.49 -11.55 60.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -29.54 13.86 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.055 0.942 . . . . 0.0 112.485 163.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.9 -43.46 71.71 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.371 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -45.79 -42.42 12.14 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.807 1.243 . . . . 0.0 112.349 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.05 -42.42 63.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.738 1.215 . . . . 0.0 110.999 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 m -69.08 -18.45 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.762 1.225 . . . . 0.0 112.826 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.69 -14.67 20.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.354 1.461 . . . . 0.0 114.495 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -33.47 74.8 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.519 -1.363 . . . . 0.0 114.596 -168.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -73.19 -12.32 60.83 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.67 0.56 57.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.803 0.841 . . . . 0.0 111.95 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.96 31.72 64.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.277 0.941 . . . . 0.0 114.605 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -144.74 -172.89 3.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.487 1.115 . . . . 0.0 113.064 -178.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.29 145.58 24.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 111.51 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 121.62 6.84 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 167.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -146.25 135.67 22.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.813 1.245 . . . . 0.0 112.471 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -78.79 149.24 32.66 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.964 0.906 . . . . 0.0 113.22 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.34 -44.15 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.851 1.26 . . . . 0.0 111.816 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.77 56.23 0.68 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.294 1.902 . . . . 0.0 109.483 165.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.06 0.04 0.26 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.623 2.769 . . . . 0.0 117.044 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -102.05 150.5 23.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.394 1.877 . . . . 0.0 111.502 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.11 126.09 26.09 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.529 1.157 . . . . 0.0 113.704 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -139.62 159.96 40.95 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 129.2 3.0 . . . . 0.0 108.419 162.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.8 m -106.89 155.42 19.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.151 0.581 . . . . 0.0 111.851 169.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -168.231 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 122.027 0.917 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.88 -45.27 93.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.733 1.213 . . . . 0.0 111.313 -163.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.0 61.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.821 1.248 . . . . 0.0 114.292 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.6 -37.07 10.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.919 1.288 . . . . 0.0 112.879 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.41 -33.86 65.18 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.016 -1.052 . . . . 0.0 112.408 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.02 -20.27 56.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.583 1.153 . . . . 0.0 113.361 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.84 -44.99 46.19 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.27 -0.894 . . . . 0.0 111.396 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -72.81 -42.86 63.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.943 0.897 . . . . 0.0 111.644 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.42 -29.94 64.17 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -30.14 71.14 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 112.249 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -71.62 -7.67 49.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.035 1.334 . . . . 0.0 113.629 171.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -104.57 5.22 33.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.249 1.82 . . . . 0.0 112.355 166.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.62 89.36 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 116.685 -2.175 . . . . 0.0 116.257 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.37 -176.35 3.79 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 121.052 2.426 . . . . 0.0 115.579 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.54 137.69 33.74 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.616 1.566 . . . . 0.0 109.984 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.47 98.59 1.89 Allowed Glycine 0 N--CA 1.465 0.58 0 C-N-CA 124.155 0.883 . . . . 0.0 112.145 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -131.81 122.81 26.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.291 1.036 . . . . 0.0 110.509 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.0 p -111.88 157.82 20.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -119.44 -30.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.833 1.253 . . . . 0.0 112.963 -157.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.49 28.44 4.49 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.779 1.657 . . . . 0.0 113.666 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 55.58 41.35 30.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.152 1.781 . . . . 0.0 113.481 -170.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -140.43 114.03 8.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.693 1.197 . . . . 0.0 108.618 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.7 t -54.17 126.55 23.31 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 122.768 1.27 . . . . 0.0 114.232 -157.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.31 157.06 46.55 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 128.602 2.761 . . . . 0.0 110.001 -171.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -116.25 169.36 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.401 1.08 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.477 0.896 0 O-C-N 120.784 -1.197 . . . . 0.0 113.439 -169.577 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 . . . . . 0 CA--C 1.545 0.765 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.21 -38.93 92.8 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.987 -1.071 . . . . 0.0 112.709 -167.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.21 -12.31 61.56 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.76 -30.84 11.85 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.55 1.14 . . . . 0.0 112.153 167.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.27 -40.9 74.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.542 1.537 . . . . 0.0 112.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.23 -41.26 65.22 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 111.056 169.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.64 -30.57 69.31 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.829 0.851 . . . . 0.0 112.528 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.9 m -76.84 -44.13 33.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.1 m -74.78 -36.21 62.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 113.334 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -32.12 72.66 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.509 -1.369 . . . . 0.0 112.78 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -62.89 -16.07 57.45 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.64 -15.23 24.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.181 1.392 . . . . 0.0 112.483 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.87 7.32 29.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.575 1.559 . . . . 0.0 116.741 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.95 -175.08 3.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.27 1.535 . . . . 0.0 114.05 -174.022 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.72 144.49 25.68 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.398 1.079 . . . . 0.0 111.257 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.1 132.52 11.05 Favored Glycine 0 N--CA 1.465 0.579 0 C-N-CA 124.382 0.991 . . . . 0.0 113.175 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.53 162.1 32.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 174.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.15 98.91 12.03 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.153 -0.967 . . . . 0.0 110.773 169.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.1 mm -117.38 119.63 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.964 1.706 . . . . 0.0 109.973 -173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.17 37.53 94.67 Favored Glycine 0 CA--C 1.534 1.253 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -161.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.401 0.3 OUTLIER 47.76 33.65 3.31 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.876 2.47 . . . . 0.0 116.502 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -136.8 160.57 38.46 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.209 1.804 . . . . 0.0 112.024 167.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.44 116.1 6.38 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.703 -0.623 . . . . 0.0 112.559 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -143.08 153.59 43.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.571 2.349 . . . . 0.0 109.925 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.1 m -106.21 157.07 17.84 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.995 -1.065 . . . . 0.0 113.253 -171.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -164.766 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.856 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -155.73 110.62 2.93 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 128.574 2.75 . . . . 0.0 110.102 -0.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.93 166.12 27.73 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.546 3.138 . . . . 0.0 109.313 -13.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -139.62 27.3 2.27 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 18.9 t -84.65 125.06 32.16 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 120.828 -1.17 . . . . 0.0 110.981 170.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 59.0 t-20 -87.87 93.76 9.56 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 163.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.9 tp -59.05 -35.78 73.92 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.565 0.746 . . . . 0.0 111.745 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.81 -22.13 66.54 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 -17.41 31.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.661 1.184 . . . . 0.0 113.259 170.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -83.69 -46.69 12.02 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.232 1.013 . . . . 0.0 111.273 172.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.08 -39.45 66.32 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.523 1.529 . . . . 0.0 112.675 176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.51 -4.7 12.27 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.8 p -103.0 1.43 33.56 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.98 1.712 . . . . 0.0 114.16 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 93.9 m -133.03 -45.08 0.85 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.653 1.581 . . . . 0.0 112.868 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -60.83 -31.5 70.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.642 1.577 . . . . 0.0 114.324 -167.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 m -80.54 -5.28 56.5 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.68 -2.54 38.06 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.132 1.773 . . . . 0.0 112.599 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.17 22.95 62.11 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 118.763 -1.021 . . . . 0.0 115.014 -176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.63 171.05 15.02 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 119.141 1.471 . . . . 0.0 113.27 168.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 tp -90.18 136.65 32.92 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.423 1.889 . . . . 0.0 111.402 -174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.22 133.42 26.25 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 123.637 0.637 . . . . 0.0 113.586 166.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -123.79 133.37 53.83 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.229 1.812 . . . . 0.0 111.543 175.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -133.67 129.36 36.72 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 122.423 1.106 . . . . 0.0 113.223 168.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 68.7 mt -137.27 127.84 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 126.082 1.753 . . . . 0.0 107.921 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.67 37.92 95.04 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 123.956 0.789 . . . . 0.0 113.945 -178.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.259 4.5 mp0 56.18 21.96 5.68 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 127.626 2.371 . . . . 0.0 115.484 -170.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.22 108.34 19.81 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.952 1.301 . . . . 0.0 110.283 178.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 24.0 t -89.24 125.9 35.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.666 1.186 . . . . 0.0 112.493 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -138.03 -179.55 5.84 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 129.221 3.009 . . . . 0.0 109.483 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.7 m -114.56 158.29 21.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.002 -1.061 . . . . 0.0 111.393 165.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -70.14 155.45 93.44 Favored Pre-proline 0 N--CA 1.482 1.135 0 C-N-CA 123.702 0.801 . . . . 0.0 112.813 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -78.28 -13.53 15.25 Favored 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 123.729 2.952 . . . . 0.0 114.142 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 125.639 1.576 . . . . 0.0 112.651 -178.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.825 0 CA-C-O 118.161 -1.355 . . . . 0.0 109.851 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -155.47 168.98 25.34 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 127.995 2.518 . . . . 0.0 113.423 1.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 36.67 71.27 0.14 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.979 2.512 . . . . 0.0 116.007 164.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -147.01 137.52 23.61 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.111 -0.993 . . . . 0.0 112.072 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.7 p -61.75 162.19 9.04 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.64 1.576 . . . . 0.0 112.401 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -62.14 115.77 4.4 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.034 -1.041 . . . . 0.0 110.891 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.57 -36.44 83.82 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.781 -0.574 . . . . 0.0 112.049 -174.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.65 -17.6 63.51 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.496 1.118 . . . . 0.0 113.283 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.77 -3.61 57.3 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.035 0.934 . . . . 0.0 112.644 171.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.7 t -123.38 -57.4 1.67 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -168.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -59.57 -40.71 88.25 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.699 -1.251 . . . . 0.0 111.236 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.3 mt -68.33 -10.8 57.45 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.6 m -87.38 -25.23 23.94 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.216 1.371 . . . . 0.0 113.125 166.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.7 m -100.75 -40.54 7.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.485 1.114 . . . . 0.0 113.503 -169.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -62.61 -33.41 74.94 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.345 1.609 . . . . 0.0 115.345 -165.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.0 m -71.09 -2.07 14.4 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 173.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -98.14 -8.92 26.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.268 1.427 . . . . 0.0 112.628 170.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.87 71.64 Favored Glycine 0 CA--C 1.533 1.173 0 CA-C-O 118.299 -1.279 . . . . 0.0 115.621 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -120.62 168.09 11.75 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.833 1.817 . . . . 0.0 113.05 176.155 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -92.68 143.94 25.81 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.609 1.164 . . . . 0.0 111.256 -175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.49 117.52 5.46 Favored Glycine 0 CA--C 1.522 0.519 0 C-N-CA 125.017 1.294 . . . . 0.0 112.402 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -138.69 174.53 10.43 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.02 1.728 . . . . 0.0 112.274 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 p -160.29 154.39 23.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.199 1.4 . . . . 0.0 112.543 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.3 mm -126.95 -37.96 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.626 1.57 . . . . 0.0 112.498 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -104.33 30.35 10.3 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.775 1.655 . . . . 0.0 111.802 172.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 52.81 35.78 19.69 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -124.59 128.17 48.48 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.977 1.311 . . . . 0.0 109.192 166.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.3 t -77.09 116.11 17.45 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 121.337 -0.852 . . . . 0.0 112.188 -171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -136.23 119.63 16.88 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.45 1.9 . . . . 0.0 109.832 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' HB3' HD23 ' A' ' 19' ' ' LEU . 4.4 m -75.08 151.12 38.68 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -170.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.5 m -83.71 153.77 64.62 Favored Pre-proline 0 N--CA 1.479 1.008 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -171.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -71.63 138.51 32.27 Favored 'Trans proline' 0 CA--C 1.542 0.902 0 C-N-CA 123.154 2.57 . . . . 0.0 111.77 169.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.9 t80 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.93 1.692 . . . . 0.0 111.213 -177.84 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -96.24 160.61 14.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.108 1.363 . . . . 0.0 111.971 173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.03 72.33 10.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.531 1.133 . . . . 0.0 109.611 164.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 t80 59.2 162.29 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.092 2.157 . . . . 0.0 114.101 -164.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.9 p -75.6 28.94 0.1 Allowed 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 -175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . 0.391 0.0 OUTLIER 48.65 30.99 2.75 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 128.814 2.845 . . . . 0.0 115.745 -175.209 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -59.22 -27.54 65.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.993 1.717 . . . . 0.0 113.038 -178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.92 -23.53 65.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.931 1.293 . . . . 0.0 114.335 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.41 -26.47 14.84 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.705 1.202 . . . . 0.0 112.118 170.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.7 t -71.31 -50.69 29.88 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.195 0.998 . . . . 0.0 113.253 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.93 -40.16 87.53 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.108 0.867 . . . . 0.0 112.047 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.25 -11.49 50.52 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.3 m -95.1 -6.13 42.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.215 1.406 . . . . 0.0 113.28 170.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.6 m -115.7 -46.91 2.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.876 1.67 . . . . 0.0 112.647 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -65.14 -23.77 67.22 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.372 -1.455 . . . . 0.0 114.504 -169.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -60.55 -30.27 69.67 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.782 0.833 . . . . 0.0 112.84 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -88.73 -6.27 57.54 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.443 1.897 . . . . 0.0 112.832 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 77.51 20.27 74.78 Favored Glycine 0 CA--C 1.535 1.342 0 CA-C-O 118.569 -1.128 . . . . 0.0 115.085 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -121.81 171.06 9.17 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.244 1.522 . . . . 0.0 113.268 169.453 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 tp -89.19 133.93 34.23 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.56 2.344 . . . . 0.0 110.55 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.4 121.3 5.37 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 124.376 0.988 . . . . 0.0 111.974 165.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -119.19 132.05 55.91 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.088 0.955 . . . . 0.0 113.498 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 86.5 m -84.19 132.8 34.63 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.73 1.212 . . . . 0.0 112.621 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.8 mm -137.25 126.14 35.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 126.757 2.023 . . . . 0.0 108.709 171.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 57.72 33.11 66.7 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.648 -0.657 . . . . 0.0 113.456 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.26 30.3 mt-10 62.89 6.69 2.27 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.864 2.065 . . . . 0.0 116.294 -175.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -91.47 165.9 13.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.798 1.639 . . . . 0.0 109.77 156.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.5 t -139.21 137.97 36.46 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 120.636 -1.29 . . . . 0.0 113.485 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -149.68 147.44 28.08 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.482 2.313 . . . . 0.0 109.205 -173.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.2 m -73.11 166.04 23.87 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 120.743 1.61 . . . . 0.0 112.66 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.7 m -114.06 163.01 20.12 Favored Pre-proline 0 N--CA 1.483 1.189 0 C-N-CA 124.822 1.249 . . . . 0.0 112.844 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -70.91 79.66 1.28 Allowed 'Trans proline' 0 CA--C 1.543 0.969 0 C-N-CA 123.501 2.801 . . . . 0.0 109.518 161.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.0 t80 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.59 1.956 . . . . 0.0 113.63 -173.082 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.063 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -72.84 169.94 15.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.174 1.39 . . . . 0.0 114.346 -168.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.73 74.32 7.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.125 0.97 . . . . 0.0 111.64 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 71.11 149.76 0.09 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.421 2.288 . . . . 0.0 113.856 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.9 p -59.42 164.45 3.36 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.443 1.497 . . . . 0.0 113.997 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -66.92 109.75 3.06 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 109.516 173.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.9 tp -149.62 -22.54 0.27 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -171.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.93 79.76 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -164.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.52 -7.08 42.26 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.993 1.317 . . . . 0.0 112.605 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.4 t -66.36 -52.65 44.79 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.24 1.416 . . . . 0.0 109.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.12 -45.43 61.58 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.857 0.863 . . . . 0.0 112.42 172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.99 -26.62 68.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.102 0.961 . . . . 0.0 112.623 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.2 m -93.03 -30.62 15.21 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.325 1.85 . . . . 0.0 112.596 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.6 m -63.88 -24.39 67.72 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.111 -0.993 . . . . 0.0 112.325 173.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -46.24 72.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.198 1.399 . . . . 0.0 113.084 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.4 p -76.74 -2.11 31.38 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -93.76 -20.32 20.22 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.761 1.225 . . . . 0.0 112.32 163.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.52 15.66 77.58 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.0 1.286 . . . . 0.0 114.005 -169.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 30' ' ' CYS . 0.7 OUTLIER -103.44 157.66 16.88 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.627 1.171 . . . . 0.0 110.228 179.304 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.92 145.81 35.92 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.051 1.34 . . . . 0.0 107.397 161.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.1 116.16 4.7 Favored Glycine 0 N--CA 1.467 0.755 0 O-C-N 120.595 -1.316 . . . . 0.0 111.893 168.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -140.29 119.27 12.65 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.871 0.869 . . . . 0.0 110.225 168.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 10.6 p -77.75 149.07 34.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.655 1.582 . . . . 0.0 113.679 -168.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.9 mm -135.53 131.32 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 126.042 1.737 . . . . 0.0 109.498 -175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.23 28.79 67.37 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.824 -0.547 . . . . 0.0 113.196 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.273 17.3 mt-10 58.2 13.11 2.16 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.817 2.847 . . . . 0.0 115.814 -169.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -101.82 158.02 16.43 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.383 2.273 . . . . 0.0 111.509 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.2 t -63.38 122.62 16.66 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.09 0.956 . . . . 0.0 111.683 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -148.77 166.82 27.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 128.669 2.787 . . . . 0.0 110.09 171.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.489 ' HB2' HD23 ' A' ' 19' ' ' LEU . 12.5 m -131.37 160.79 34.02 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.558 1.143 . . . . 0.0 111.482 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 36.0 m -145.28 152.78 51.31 Favored Pre-proline 0 N--CA 1.487 1.379 0 C-N-CA 127.501 2.32 . . . . 0.0 112.161 -170.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -74.35 -19.16 19.84 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 121.796 1.664 . . . . 0.0 115.437 -172.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.258 1.502 0 C-N-CA 125.424 1.49 . . . . 0.0 113.799 -168.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.71 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -97.21 -18.35 19.3 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -172.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.96 140.66 50.88 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.484 1.114 . . . . 0.0 112.135 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -86.04 25.85 1.09 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.431 1.492 . . . . 0.0 112.415 171.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.8 t -150.9 125.21 9.43 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.752 1.621 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -89.14 128.06 35.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.118 0.967 . . . . 0.0 110.433 177.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.9 tp -79.07 -34.04 44.05 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.12 0.418 . . . . 0.0 112.091 -174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.67 -45.09 95.48 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.536 -0.727 . . . . 0.0 111.391 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.25 -14.4 38.16 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.741 -1.224 . . . . 0.0 113.96 173.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.59 -40.2 11.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.498 1.519 . . . . 0.0 110.996 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.5 -42.0 81.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 120.538 -1.351 . . . . 0.0 111.187 164.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.05 -16.35 51.31 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.659 -1.276 . . . . 0.0 113.636 173.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.0 m -97.65 -27.15 14.5 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.764 1.226 . . . . 0.0 113.781 172.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.5 m -108.74 -42.93 4.37 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.148 1.379 . . . . 0.0 114.654 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -60.69 -31.33 70.59 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.358 1.463 . . . . 0.0 114.263 -165.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 p -61.78 -19.84 62.94 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 114.233 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.3 mt -90.6 -5.93 55.27 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.834 1.654 . . . . 0.0 112.757 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.52 10.65 83.11 Favored Glycine 0 CA--C 1.538 1.486 0 CA-C-O 118.541 -1.144 . . . . 0.0 115.266 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.97 170.47 8.32 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.102 1.451 . . . . 0.0 112.732 170.299 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.0 tp -87.13 134.95 33.46 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.234 1.814 . . . . 0.0 110.554 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.23 132.97 13.28 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 123.135 0.398 . . . . 0.0 112.563 167.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -134.36 148.97 50.8 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.553 1.541 . . . . 0.0 109.101 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.9 t -125.36 118.95 27.02 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.751 1.159 . . . . 0.0 112.911 -177.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.3 mt -137.17 131.76 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.557 1.543 . . . . 0.0 109.445 -167.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.08 33.46 85.82 Favored Glycine 0 CA--C 1.532 1.124 0 O-C-N 121.801 -0.562 . . . . 0.0 112.448 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.66 14.86 8.49 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.825 2.05 . . . . 0.0 115.597 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -125.25 136.48 53.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.922 1.289 . . . . 0.0 112.754 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.0 t -70.85 121.4 17.99 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.308 1.443 . . . . 0.0 110.671 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 mttt -139.83 105.68 5.17 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 128.388 2.675 . . . . 0.0 108.607 -174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.434 ' HB3' HD23 ' A' ' 19' ' ' LEU . 2.9 m -68.75 156.22 38.71 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.591 -0.693 . . . . 0.0 111.149 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.3 m -78.67 154.47 78.52 Favored Pre-proline 0 N--CA 1.476 0.851 0 O-C-N 121.191 -0.943 . . . . 0.0 111.663 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -83.43 115.92 2.27 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.107 2.538 . . . . 0.0 109.611 170.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.9 t80 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.069 -1.443 . . . . 0.0 114.457 -168.127 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.965 0 CA-C-O 120.794 0.108 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -86.43 125.38 33.66 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.378 1.871 . . . . 0.0 111.603 174.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -135.95 8.55 3.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -67.96 168.67 11.34 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 122.084 0.945 . . . . 0.0 112.898 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -147.06 152.45 38.56 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.906 1.283 . . . . 0.0 109.814 162.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.5 t-20 -76.34 94.77 3.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 159.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 tp -70.21 -33.57 71.85 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.436 0.694 . . . . 0.0 111.824 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.95 83.54 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.74 0.816 . . . . 0.0 112.627 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.2 -16.73 62.53 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.314 1.046 . . . . 0.0 113.48 173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.6 t -94.21 -42.19 9.09 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.184 1.394 . . . . 0.0 112.342 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -51.02 -40.61 58.62 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.703 1.601 . . . . 0.0 113.763 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.32 -12.17 55.08 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.9 p -90.33 -7.81 52.37 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.007 1.323 . . . . 0.0 113.384 171.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.7 m -114.05 -34.31 5.43 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.211 1.805 . . . . 0.0 112.51 -177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.6 -27.05 68.93 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.762 1.225 . . . . 0.0 114.187 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 p -69.63 -14.05 62.62 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.877 1.671 . . . . 0.0 114.032 170.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.76 0.78 22.5 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.982 1.713 . . . . 0.0 112.944 -175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.85 -17.83 53.36 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 125.76 1.647 . . . . 0.0 115.862 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.31 176.0 5.3 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.073 1.436 . . . . 0.0 113.518 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 mt -91.86 155.43 18.21 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.389 1.476 . . . . 0.0 111.59 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.97 148.73 49.54 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 121.992 -0.442 . . . . 0.0 113.363 169.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -133.17 130.05 38.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.068 1.747 . . . . 0.0 109.751 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.6 t -159.51 121.48 3.37 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 50.2 mt -136.22 135.14 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 127.332 2.253 . . . . 0.0 108.113 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.43 34.01 73.44 Favored Glycine 0 CA--C 1.538 1.531 0 O-C-N 120.836 -1.165 . . . . 0.0 113.752 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 58.11 5.46 0.4 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 127.563 2.345 . . . . 0.0 116.668 -171.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -89.52 108.42 19.65 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.825 -1.172 . . . . 0.0 112.403 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.2 t -84.02 122.61 29.02 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 122.44 1.114 . . . . 0.0 113.326 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -135.11 179.29 6.41 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 129.891 3.276 . . . . 0.0 109.388 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.4 m -120.65 160.15 23.86 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.042 -1.037 . . . . 0.0 111.206 167.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -70.57 150.19 95.51 Favored Pre-proline 0 N--CA 1.476 0.859 0 O-C-N 121.577 -0.702 . . . . 0.0 112.172 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.65 8.42 3.7 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 123.808 3.005 . . . . 0.0 114.416 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.7 2.0 . . . . 0.0 114.49 -168.334 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.191 0 CA-C-O 118.53 -1.15 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p 57.9 160.23 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 131.397 3.879 . . . . 0.0 116.245 6.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.98 20.17 2.35 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -137.55 158.61 44.01 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.253 1.421 . . . . 0.0 112.818 -176.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 38.1 t 53.9 54.52 9.65 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.378 1.871 . . . . 0.0 113.663 172.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.72 151.71 44.38 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.952 0.901 . . . . 0.0 112.027 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.4 tp -114.68 -49.48 2.81 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.684 1.193 . . . . 0.0 113.131 -168.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -52.28 66.11 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.496 0.719 . . . . 0.0 112.634 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.29 -16.93 61.9 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.159 0.984 . . . . 0.0 113.541 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -84.33 -44.38 13.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.331 1.053 . . . . 0.0 110.216 -177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.9 -23.55 67.26 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 120.727 -1.233 . . . . 0.0 112.736 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -83.88 -2.28 56.14 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.511 1.524 . . . . 0.0 114.185 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -133.92 22.93 3.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.326 1.051 . . . . 0.0 113.584 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -130.65 -32.97 1.66 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -72.93 -24.11 60.78 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 120.981 1.719 . . . . 0.0 112.927 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.2 p -54.54 -33.05 59.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.587 1.155 . . . . 0.0 112.551 162.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -94.74 -9.58 34.25 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.089 2.155 . . . . 0.0 113.258 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.42 9.7 61.4 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 126.528 2.013 . . . . 0.0 116.409 -175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.69 157.82 18.72 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 119.942 1.871 . . . . 0.0 112.718 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.62 128.73 33.75 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.786 1.234 . . . . 0.0 110.193 164.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.57 114.69 6.88 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.331 0.967 . . . . 0.0 113.725 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -150.46 164.04 36.9 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 127.497 2.319 . . . . 0.0 111.647 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 14.7 p -110.3 177.95 4.54 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.75 1.62 . . . . 0.0 112.053 168.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -94.1 -46.6 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.107 -0.996 . . . . 0.0 110.247 166.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.91 11.53 0.06 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.457 1.503 . . . . 0.0 114.468 169.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.33 -58.13 0.18 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.689 1.596 . . . . 0.0 111.358 -160.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -152.12 166.23 32.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.1 t -62.17 110.56 1.65 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.916 1.686 . . . . 0.0 111.716 -171.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -147.54 81.19 1.51 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.442 3.097 . . . . 0.0 106.728 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.94 170.46 10.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.686 1.594 . . . . 0.0 114.344 -162.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.27 160.67 66.03 Favored Pre-proline 0 N--CA 1.482 1.128 0 N-CA-C 115.99 1.848 . . . . 0.0 115.99 -149.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -74.55 53.63 3.19 Favored 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.741 4.961 . . . . 0.0 114.334 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 126.262 1.825 . . . . 0.0 110.885 172.69 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.095 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -70.23 -22.37 62.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.779 0.831 . . . . 0.0 111.558 172.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.79 163.0 24.54 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.572 1.949 . . . . 0.0 110.06 158.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -81.54 146.46 30.14 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.757 1.223 . . . . 0.0 113.044 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 t -125.24 135.84 52.95 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.736 1.214 . . . . 0.0 113.191 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -123.66 118.95 28.42 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 126.165 1.786 . . . . 0.0 108.693 163.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 tp -57.61 -39.4 76.78 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.465 1.106 . . . . 0.0 112.182 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.24 -25.24 13.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.129 1.772 . . . . 0.0 114.925 173.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.81 -10.48 14.44 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.288 1.435 . . . . 0.0 113.438 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.39 -40.82 12.48 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.203 1.401 . . . . 0.0 111.837 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.56 -44.21 72.71 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.103 -0.998 . . . . 0.0 110.354 164.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.1 mt -70.33 -2.33 13.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.594 1.157 . . . . 0.0 113.974 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.4 m -113.18 -0.76 14.54 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.527 1.931 . . . . 0.0 113.631 173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.9 m -123.59 -48.35 1.93 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.625 1.57 . . . . 0.0 111.297 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -72.19 -14.57 61.84 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.717 -1.239 . . . . 0.0 114.016 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.2 p -65.84 -22.6 66.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.505 1.522 . . . . 0.0 113.437 165.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 mt -92.8 -18.34 23.01 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.418 1.487 . . . . 0.0 112.717 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.57 0.75 32.67 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.413 1.959 . . . . 0.0 115.934 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -114.17 161.12 18.2 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.465 1.632 . . . . 0.0 113.292 175.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.41 135.29 36.14 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.134 1.374 . . . . 0.0 110.779 -173.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.39 131.35 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 123.663 0.649 . . . . 0.0 113.764 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -134.52 152.81 52.03 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.657 1.583 . . . . 0.0 112.73 171.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.6 m -97.82 66.27 1.89 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.683 1.593 . . . . 0.0 111.355 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.2 mm -74.83 127.21 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.474 1.11 . . . . 0.0 109.998 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.48 29.8 75.69 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.672 -0.642 . . . . 0.0 112.775 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 52.35 35.58 17.6 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.687 1.995 . . . . 0.0 113.267 -168.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HB3' ' HE3' ' A' ' 29' ' ' LYS . 61.1 tt0 -141.51 141.89 33.59 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.256 1.422 . . . . 0.0 109.948 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.3 t -73.7 106.39 5.42 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.626 -1.296 . . . . 0.0 111.568 -170.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HE3' ' HB3' ' A' ' 27' ' ' GLU . 89.2 mttt -138.72 106.37 5.61 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.329 1.852 . . . . 0.0 108.999 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 3.4 m -72.38 159.66 33.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.324 0.65 . . . . 0.0 112.414 -170.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 m -81.9 149.55 63.57 Favored Pre-proline 0 N--CA 1.476 0.838 0 O-C-N 121.463 -0.773 . . . . 0.0 113.007 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.99 75.71 4.92 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.803 3.002 . . . . 0.0 112.028 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 124.071 0.948 . . . . 0.0 111.626 164.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.901 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -69.19 -15.0 63.29 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.975 1.31 . . . . 0.0 114.058 176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.61 178.07 7.38 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.212 1.405 . . . . 0.0 111.318 169.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -127.67 150.44 49.76 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.726 1.611 . . . . 0.0 109.953 168.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.4 t -60.43 129.5 41.91 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.403 -0.811 . . . . 0.0 112.554 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -136.0 118.44 15.78 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 154.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.16 -43.83 78.72 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.85 10.14 0.96 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.449 1.9 . . . . 0.0 114.627 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.4 -25.78 3.15 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.413 1.485 . . . . 0.0 111.98 162.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.0 t -73.64 -45.45 52.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.708 1.203 . . . . 0.0 111.973 -176.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -54.63 -43.49 72.34 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.487 0.715 . . . . 0.0 110.546 171.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 mt -72.46 -9.2 58.25 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.89 1.676 . . . . 0.0 113.78 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 m -104.5 -7.2 19.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.675 1.99 . . . . 0.0 112.867 175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.5 m -117.31 -38.41 3.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.271 1.428 . . . . 0.0 114.039 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -66.7 -20.32 65.95 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -165.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 92.9 p -64.85 -20.2 66.29 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.436 1.016 . . . . 0.0 113.581 170.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.3 mt -87.57 -10.06 52.63 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.031 1.332 . . . . 0.0 113.264 177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.55 -6.54 77.63 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.827 1.679 . . . . 0.0 115.507 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -103.01 174.93 5.65 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.744 1.272 . . . . 0.0 111.177 172.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -104.18 152.73 21.79 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.221 1.008 . . . . 0.0 111.264 -175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.72 100.99 2.04 Favored Glycine 0 N--CA 1.466 0.678 0 C-N-CA 124.603 1.097 . . . . 0.0 112.41 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -129.1 123.31 31.88 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.879 1.272 . . . . 0.0 109.815 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 75.2 m -65.37 155.71 34.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.857 1.263 . . . . 0.0 113.495 -169.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.64 133.51 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.591 1.556 . . . . 0.0 108.118 170.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.48 92.09 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 121.9 -0.5 . . . . 0.0 113.733 175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 65.93 17.72 10.89 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.454 1.902 . . . . 0.0 115.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.05 158.74 42.79 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.804 1.241 . . . . 0.0 112.089 169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.49 124.79 24.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 120.929 -1.107 . . . . 0.0 113.249 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -128.64 155.61 44.72 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 128.079 2.552 . . . . 0.0 109.382 166.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' HD23 ' A' ' 19' ' ' LEU . 14.6 m -93.59 165.61 12.65 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.65 -0.656 . . . . 0.0 111.644 168.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.88 161.56 23.07 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 124.564 1.146 . . . . 0.0 113.988 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -68.43 134.85 32.08 Favored 'Trans proline' 0 CA--C 1.536 0.614 0 C-N-CA 123.92 3.08 . . . . 0.0 111.709 160.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -176.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.65 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -138.82 23.59 2.63 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.136 1.375 . . . . 0.0 113.059 -177.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -138.59 159.73 41.35 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.9 1.68 . . . . 0.0 110.973 167.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -66.09 154.37 39.78 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.55 0.74 . . . . 0.0 112.3 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.6 t -148.03 97.29 2.77 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.908 -1.12 . . . . 0.0 111.866 170.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -75.54 115.78 15.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.033 -0.985 . . . . 0.0 108.65 160.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 tp -71.13 -43.88 66.72 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 112.036 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.67 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.107 0.563 . . . . 0.0 112.297 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.42 -24.28 42.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.071 0.948 . . . . 0.0 113.304 171.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.2 -37.73 66.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.528 1.131 . . . . 0.0 110.856 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -50.59 -39.06 48.74 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.016 0.926 . . . . 0.0 112.128 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.2 mt -67.33 -13.67 62.21 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.92 1.288 . . . . 0.0 113.976 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.1 m -102.14 -5.06 24.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.963 1.705 . . . . 0.0 113.503 174.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.2 m -122.42 -44.14 2.26 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.599 1.16 . . . . 0.0 113.25 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -58.89 -32.45 69.53 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.468 -1.395 . . . . 0.0 113.11 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -66.11 -15.59 63.23 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.035 2.134 . . . . 0.0 115.308 172.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.8 mt -98.41 -8.61 26.57 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.068 1.747 . . . . 0.0 113.182 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.58 11.99 54.48 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.064 1.316 . . . . 0.0 115.466 -176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.77 175.99 9.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.801 1.8 . . . . 0.0 113.111 178.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.5 mp -91.38 143.86 26.19 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.985 1.314 . . . . 0.0 111.424 -177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.22 130.92 10.48 Favored Glycine 0 N--CA 1.469 0.869 0 C-N-CA 123.823 0.725 . . . . 0.0 112.762 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -139.51 150.67 45.39 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 98.8 m -85.51 70.89 10.81 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 123.989 0.915 . . . . 0.0 110.808 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.1 mm -76.68 134.58 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.966 1.306 . . . . 0.0 110.452 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.95 24.67 63.07 Favored Glycine 0 CA--C 1.542 1.736 0 O-C-N 120.727 -1.233 . . . . 0.0 112.995 -165.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 61.21 16.41 7.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.956 2.502 . . . . 0.0 115.371 -166.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -131.55 149.64 52.44 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.8 2.04 . . . . 0.0 111.936 -174.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.89 121.2 16.85 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.2 -1.562 . . . . 0.0 113.251 -167.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -141.26 178.3 7.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 128.895 2.878 . . . . 0.0 109.434 167.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HB3' HD23 ' A' ' 19' ' ' LEU . 5.6 m -114.18 159.76 19.74 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.778 -1.201 . . . . 0.0 112.351 174.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 m -80.02 150.09 71.14 Favored Pre-proline 0 N--CA 1.484 1.233 0 O-C-N 121.32 -0.862 . . . . 0.0 113.085 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.69 133.52 10.42 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.59 2.86 . . . . 0.0 113.04 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--O 1.248 1.008 0 C-N-CA 126.662 1.985 . . . . 0.0 110.725 167.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.828 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -91.78 -37.08 13.18 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -159.85 4.2 0.08 Allowed 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 116.52 2.045 . . . . 0.0 116.52 -176.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.0 t80 57.7 138.4 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 128.557 2.743 . . . . 0.0 115.367 -171.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.5 t -69.76 119.5 14.09 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.387 1.075 . . . . 0.0 112.596 -177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -87.93 37.44 0.8 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.064 1.746 . . . . 0.0 114.609 -174.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.83 -36.05 78.11 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.354 -0.841 . . . . 0.0 112.496 -169.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.58 -18.91 44.92 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.71 -21.34 12.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.983 1.313 . . . . 0.0 112.62 169.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -68.99 -46.4 68.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.838 0.855 . . . . 0.0 111.078 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -51.74 -54.94 22.87 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.377 1.071 . . . . 0.0 111.699 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.01 -11.61 60.39 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.8 m -91.68 -40.25 11.39 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.066 0.946 . . . . 0.0 111.376 172.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.9 m -64.68 -37.19 86.75 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.158 0.983 . . . . 0.0 111.38 172.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.1 ttm105 -57.1 -30.79 64.64 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -58.1 -21.91 48.34 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.49 1.496 . . . . 0.0 114.27 172.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.4 mt -94.94 -11.16 29.09 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.181 1.792 . . . . 0.0 112.843 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.52 9.63 59.98 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.097 1.332 . . . . 0.0 116.228 -178.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -124.1 -165.9 1.42 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.345 1.458 . . . . 0.0 111.639 177.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -123.04 164.94 17.62 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.97 1.708 . . . . 0.0 112.015 -175.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.18 148.72 21.58 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 124.316 0.96 . . . . 0.0 115.029 -176.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -136.62 148.52 47.5 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.484 1.913 . . . . 0.0 111.427 164.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 56.9 m -91.65 129.25 37.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.085 0.954 . . . . 0.0 111.253 165.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 27.9 mt -132.82 120.53 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 124.941 1.296 . . . . 0.0 108.525 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.88 31.94 82.51 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.793 -0.567 . . . . 0.0 113.471 -169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 62.38 18.83 10.62 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.722 2.009 . . . . 0.0 115.154 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.51 156.25 42.48 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.709 -1.245 . . . . 0.0 111.559 174.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.1 t -67.72 131.22 45.16 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.499 1.52 . . . . 0.0 113.26 -174.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -140.8 149.9 42.64 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 129.048 2.939 . . . . 0.0 108.963 164.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 52.2 m -98.13 154.33 17.82 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.181 -1.574 . . . . 0.0 113.7 -177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.1 m -85.37 158.13 58.03 Favored Pre-proline 0 N--CA 1.481 1.076 0 C-N-CA 124.861 1.265 . . . . 0.0 113.318 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -68.5 133.69 28.7 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.362 2.041 . . . . 0.0 110.706 163.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 t80 . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.952 1.301 . . . . 0.0 111.6 -178.185 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.27 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p -53.98 -29.61 43.75 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 -175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.18 -8.48 29.93 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -140.15 82.59 1.87 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.362 2.265 . . . . 0.0 109.934 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.65 63.28 1.4 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.018 1.727 . . . . 0.0 108.633 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.83 121.12 15.32 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.065 0.946 . . . . 0.0 111.693 -164.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.0 tp -88.43 -20.28 25.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.539 1.135 . . . . 0.0 113.498 -173.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -58.68 5.4 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.321 1.448 . . . . 0.0 114.241 -161.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.42 -3.97 29.93 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.149 1.38 . . . . 0.0 112.704 175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.4 t -67.68 -48.05 67.71 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.218 1.007 . . . . 0.0 109.921 173.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.7 -39.89 74.66 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.562 0.745 . . . . 0.0 112.854 172.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.2 mt -62.76 -42.72 99.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.222 0.609 . . . . 0.0 111.121 176.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.8 p -67.64 -19.76 65.24 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.031 0.932 . . . . 0.0 113.437 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.7 m -88.75 -35.97 16.39 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.272 1.029 . . . . 0.0 111.423 172.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.93 -29.57 70.89 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.221 -1.55 . . . . 0.0 112.451 173.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.8 m -54.21 -16.27 2.0 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.747 1.619 . . . . 0.0 114.512 165.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.6 -9.3 12.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.08 1.752 . . . . 0.0 113.269 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.99 13.88 70.81 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.799 1.08 . . . . 0.0 115.799 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -123.54 -175.9 3.32 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.024 1.329 . . . . 0.0 112.489 173.197 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -97.62 140.1 32.54 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.679 1.592 . . . . 0.0 111.337 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.22 131.92 11.0 Favored Glycine 0 CA--C 1.523 0.552 0 C-N-CA 124.743 1.163 . . . . 0.0 111.443 168.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -139.81 160.21 40.42 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.357 1.463 . . . . 0.0 113.166 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 23.1 t -78.65 110.09 13.47 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.196 -0.94 . . . . 0.0 109.956 166.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.6 mm -127.85 128.92 69.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.814 1.646 . . . . 0.0 108.656 -174.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.57 32.39 61.21 Favored Glycine 0 CA--C 1.538 1.496 0 O-C-N 121.317 -0.864 . . . . 0.0 113.382 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 59.94 21.0 10.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.847 2.059 . . . . 0.0 115.907 -171.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -134.82 133.88 40.25 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.544 1.537 . . . . 0.0 110.524 178.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -77.47 119.54 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 120.705 -1.247 . . . . 0.0 111.983 -171.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -153.88 178.92 9.38 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.445 2.298 . . . . 0.0 110.956 -176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 3.2 m -101.96 154.54 18.86 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 120.805 -1.185 . . . . 0.0 114.117 -175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m -91.57 163.11 29.6 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 -170.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -85.17 -7.49 9.1 Favored 'Trans proline' 0 CA--C 1.547 1.153 0 C-N-CA 124.727 3.618 . . . . 0.0 114.902 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.314 1.445 . . . . 0.0 114.301 -176.306 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.823 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.9 m 48.96 41.23 18.52 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.891 2.076 . . . . 0.0 114.613 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.1 47.4 1.23 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.627 1.171 . . . . 0.0 112.903 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -66.32 150.32 49.03 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.672 1.589 . . . . 0.0 113.32 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.18 119.27 37.21 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.684 1.594 . . . . 0.0 114.462 -170.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -67.89 137.56 55.34 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.193 1.797 . . . . 0.0 110.816 168.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.3 tp -48.88 -41.02 31.92 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.957 1.703 . . . . 0.0 111.534 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.06 -26.66 64.8 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.58 -21.98 18.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.416 1.087 . . . . 0.0 113.243 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.0 t -92.06 -29.0 16.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.083 0.953 . . . . 0.0 113.049 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.32 -26.42 52.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.56 -1.338 . . . . 0.0 111.96 167.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.3 mt -60.43 -29.7 69.16 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.372 1.069 . . . . 0.0 113.024 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -103.48 -10.45 18.53 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.425 1.49 . . . . 0.0 114.422 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.9 m -121.11 -40.34 2.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.247 1.019 . . . . 0.0 113.105 -172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -74.65 -14.9 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 120.534 -1.354 . . . . 0.0 112.461 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 p -61.7 -19.17 62.07 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.106 1.763 . . . . 0.0 113.914 160.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.39 9.51 16.87 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.363 2.265 . . . . 0.0 110.943 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.41 7.81 64.94 Favored Glycine 0 CA--C 1.536 1.401 0 CA-C-O 117.118 -1.935 . . . . 0.0 116.916 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.35 174.05 6.97 Favored 'General case' 0 N--CA 1.482 1.158 0 CA-C-N 120.853 2.326 . . . . 0.0 113.597 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.1 tp -76.07 134.14 40.13 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -161.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.82 58.04 0.52 Allowed Glycine 0 CA--C 1.531 1.067 0 C-N-CA 126.998 2.237 . . . . 0.0 115.055 169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 133.23 49.99 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.088 1.355 . . . . 0.0 112.172 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.3 t -132.61 112.85 12.39 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.507 1.523 . . . . 0.0 110.223 167.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 56.0 mt -133.46 133.2 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.496 1.518 . . . . 0.0 108.529 171.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.26 35.22 87.67 Favored Glycine 0 CA--C 1.53 0.991 0 CA-C-O 119.547 -0.585 . . . . 0.0 113.465 -175.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 61.06 33.79 19.44 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -137.69 130.76 30.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.635 -1.291 . . . . 0.0 113.395 165.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -73.93 110.34 8.14 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.719 1.208 . . . . 0.0 110.299 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -152.5 119.62 5.86 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.931 1.292 . . . . 0.0 110.094 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.72 175.62 5.54 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.655 0.741 . . . . 0.0 112.509 -168.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -81.24 157.89 70.15 Favored Pre-proline 0 N--CA 1.479 1.003 0 O-C-N 120.96 -1.087 . . . . 0.0 113.598 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -83.2 1.62 8.93 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.44 2.76 . . . . 0.0 115.092 -170.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.257 1.467 0 C-N-CA 125.38 1.472 . . . . 0.0 114.881 -174.4 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.93 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.1 p -142.27 -0.49 1.26 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.88 1.672 . . . . 0.0 115.191 -171.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.04 170.68 8.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.832 1.653 . . . . 0.0 112.751 -173.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -74.6 156.47 36.73 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.768 1.227 . . . . 0.0 111.839 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.5 t -70.41 146.99 50.0 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -175.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -80.9 79.97 7.46 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.297 -0.877 . . . . 0.0 108.745 160.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.02 -31.88 72.3 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.39 0.676 . . . . 0.0 111.979 -170.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.86 -7.27 10.6 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 173.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.93 5.01 30.16 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.138 1.775 . . . . 0.0 113.765 171.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.03 -42.62 2.92 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.856 2.062 . . . . 0.0 112.755 -177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -56.72 -55.38 34.92 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.314 0.961 . . . . 0.0 113.4 -175.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -64.45 -21.07 66.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.534 1.534 . . . . 0.0 113.954 175.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.0 m -83.07 -0.87 50.99 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.076 1.75 . . . . 0.0 111.994 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.58 -23.26 4.43 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.237 1.415 . . . . 0.0 113.069 166.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -66.17 -21.17 66.32 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.011 -1.681 . . . . 0.0 112.566 174.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.2 p -62.29 -13.8 32.24 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.935 1.694 . . . . 0.0 114.626 163.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.23 -12.89 18.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.66 1.984 . . . . 0.0 112.172 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.96 15.81 37.93 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 118.246 -1.308 . . . . 0.0 115.697 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD23 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -140.48 167.94 20.98 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.725 1.762 . . . . 0.0 113.849 173.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.83 121.41 28.44 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.572 -1.33 . . . . 0.0 112.034 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.8 119.49 5.73 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.804 169.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -132.27 94.52 3.46 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.513 1.125 . . . . 0.0 113.739 -173.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.5 p -96.33 154.96 16.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 113.527 173.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 mt -137.74 -45.97 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 126.752 2.021 . . . . 0.0 111.064 168.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.18 34.31 4.89 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 125.958 1.742 . . . . 0.0 112.782 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 58.07 22.84 9.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.27 2.228 . . . . 0.0 115.561 -169.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.82 103.65 14.37 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.461 1.104 . . . . 0.0 111.281 175.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.6 t -81.8 55.71 2.81 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.63 1.172 . . . . 0.0 112.074 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -67.87 156.36 37.31 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.792 2.037 . . . . 0.0 109.821 162.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.507 ' HB3' HD23 ' A' ' 19' ' ' LEU . 8.2 m -131.53 153.1 50.18 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.777 0.799 . . . . 0.0 113.097 -172.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -92.79 173.86 4.59 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 125.524 1.53 . . . . 0.0 112.52 -170.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -73.46 4.09 4.22 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.702 2.268 . . . . 0.0 116.295 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.1 p90 . . . . . 0 C--O 1.248 0.975 0 N-CA-C 116.568 2.062 . . . . 0.0 116.568 -164.179 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.865 0 N-CA-C 110.369 -1.092 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -128.42 46.46 2.59 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.272 1.429 . . . . 0.0 109.4 170.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.89 23.85 5.32 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.995 2.118 . . . . 0.0 116.643 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -87.75 147.1 25.35 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.798 1.181 . . . . 0.0 112.483 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.5 t -91.22 100.02 12.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.747 0.784 . . . . 0.0 112.919 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -69.25 120.92 15.82 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 159.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.61 -7.67 0.33 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -172.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -25.39 67.29 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -160.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -132.38 10.69 4.47 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.222 1.009 . . . . 0.0 113.107 172.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -71.56 -52.99 15.27 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.02 -1.05 . . . . 0.0 112.068 -171.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.22 -39.81 94.75 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.719 0.808 . . . . 0.0 111.279 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -56.57 -43.98 80.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.433 1.093 . . . . 0.0 111.823 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.1 t -75.15 -50.38 16.47 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 124.63 1.172 . . . . 0.0 111.104 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.2 m -59.16 -43.91 92.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.779 0.832 . . . . 0.0 112.105 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -60.63 -32.04 71.21 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.7 -1.25 . . . . 0.0 112.593 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 m -73.9 -26.11 60.36 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.615 1.166 . . . . 0.0 113.089 174.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.1 -20.61 32.26 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.458 1.026 . . . . 0.0 112.827 169.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.09 11.27 9.13 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 126.172 1.844 . . . . 0.0 116.332 174.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -179.74 7.03 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.662 1.731 . . . . 0.0 114.634 -168.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.7 tp -84.74 136.72 33.59 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.036 1.335 . . . . 0.0 112.128 -172.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.92 102.7 2.4 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.883 0.754 . . . . 0.0 112.549 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -96.21 123.9 40.01 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 124.338 1.055 . . . . 0.0 111.996 173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.2 p -92.1 135.26 34.12 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.226 1.01 . . . . 0.0 112.84 176.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mm -139.42 113.73 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 127.485 2.314 . . . . 0.0 109.309 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.46 45.53 75.9 Favored Glycine 0 CA--C 1.536 1.358 0 O-C-N 121.292 -0.88 . . . . 0.0 114.922 163.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.284 2.0 mp0 68.09 15.5 9.43 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.281 2.232 . . . . 0.0 116.881 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -117.41 166.06 12.77 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.392 2.277 . . . . 0.0 111.099 162.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -150.02 101.03 2.99 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.419 1.087 . . . . 0.0 112.829 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -116.21 139.12 50.68 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.648 1.579 . . . . 0.0 110.407 177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.43 152.6 34.2 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -168.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.3 m -101.64 161.74 22.59 Favored Pre-proline 0 N--CA 1.487 1.404 0 C-N-CA 124.6 1.16 . . . . 0.0 112.614 -173.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -65.79 13.61 0.12 Allowed 'Trans proline' 0 CA--C 1.55 1.312 0 C-N-CA 124.167 3.245 . . . . 0.0 117.951 -175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 C--O 1.248 1.013 0 C-N-CA 126.048 1.739 . . . . 0.0 112.753 -158.647 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.212 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -159.27 141.39 13.61 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.018 0.909 . . . . 0.0 113.064 178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.27 14.61 2.31 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.41 1.084 . . . . 0.0 113.618 172.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -141.12 160.98 38.95 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.016 2.126 . . . . 0.0 111.076 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.6 t -82.38 158.63 23.26 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -78.09 45.89 0.56 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.933 1.293 . . . . 0.0 113.101 167.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.41 -37.07 69.67 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.303 1.041 . . . . 0.0 112.582 -172.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.86 -17.26 8.73 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.736 2.014 . . . . 0.0 115.884 173.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.55 -26.91 10.17 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.095 1.358 . . . . 0.0 112.807 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.6 t -67.99 -39.04 83.33 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.264 1.826 . . . . 0.0 111.747 177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -50.62 -27.06 6.15 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.518 1.527 . . . . 0.0 113.083 167.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -97.0 -44.03 7.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.99 1.316 . . . . 0.0 111.471 -175.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 99.3 p -76.63 -30.3 56.81 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.701 0.682 . . . . 0.0 112.825 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -68.42 -31.04 70.08 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.398 -0.814 . . . . 0.0 112.243 174.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.82 -17.6 64.04 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 118.382 -0.818 . . . . 0.0 112.934 176.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 m -67.49 -17.99 64.89 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.427 1.091 . . . . 0.0 113.864 166.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.8 mt -105.04 -10.69 17.03 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.736 1.614 . . . . 0.0 112.533 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.41 11.93 65.8 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.182 1.372 . . . . 0.0 114.414 -166.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.7 158.06 16.98 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.024 1.412 . . . . 0.0 111.557 -177.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.06 140.23 29.85 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 109.259 168.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.87 118.95 11.12 Favored Glycine 0 N--CA 1.467 0.751 0 O-C-N 121.433 -0.792 . . . . 0.0 113.689 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -143.15 159.71 41.78 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.95 1.7 . . . . 0.0 109.724 167.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.1 m -117.68 160.07 21.92 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.114 1.366 . . . . 0.0 112.397 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.1 mt -138.11 122.52 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 124.759 1.224 . . . . 0.0 108.877 166.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.9 35.1 78.51 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 123.861 0.743 . . . . 0.0 114.143 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 59.97 31.03 20.49 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.647 1.979 . . . . 0.0 114.791 -175.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.89 148.37 48.57 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.548 1.939 . . . . 0.0 110.009 167.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.5 t -71.49 113.51 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.36 1.464 . . . . 0.0 112.189 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -148.09 112.83 5.39 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 127.454 2.302 . . . . 0.0 108.61 177.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 p -127.68 177.9 6.49 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 -155.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.3 m -128.12 148.43 67.52 Favored Pre-proline 0 N--CA 1.478 0.927 0 C-N-CA 126.113 1.765 . . . . 0.0 114.021 -152.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -71.66 154.76 59.49 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.693 2.262 . . . . 0.0 111.796 171.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.6 p90 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 127.113 2.165 . . . . 0.0 111.293 175.09 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.241 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -89.52 -19.35 25.14 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.285 1.834 . . . . 0.0 113.334 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -158.56 179.09 9.44 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.893 2.477 . . . . 0.0 109.715 171.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -94.61 173.48 7.59 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.487 1.115 . . . . 0.0 113.264 -177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.6 t -95.29 136.12 36.04 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.155 0.982 . . . . 0.0 112.741 175.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -122.51 129.86 52.43 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.905 1.682 . . . . 0.0 108.18 161.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.65 -45.49 92.59 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.32 0.963 . . . . 0.0 111.245 -172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.19 -1.88 6.96 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.423 1.489 . . . . 0.0 114.87 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.72 -37.09 4.98 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.198 1.399 . . . . 0.0 112.378 168.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 50.3 t -78.13 -33.72 50.28 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.656 1.183 . . . . 0.0 112.637 -174.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -49.2 -38.73 27.0 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.639 0.775 . . . . 0.0 112.403 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -63.32 -36.42 83.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.458 1.503 . . . . 0.0 112.115 -177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 m -77.5 -7.63 56.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.504 1.122 . . . . 0.0 113.003 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 74.8 m -110.31 -30.82 7.54 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.684 1.594 . . . . 0.0 112.715 173.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -52.91 -41.5 64.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.648 1.979 . . . . 0.0 111.315 168.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 p -67.31 -7.52 25.16 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.035 1.734 . . . . 0.0 114.808 175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.1 mt -110.75 -27.98 8.64 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.5 1.92 . . . . 0.0 112.43 171.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.93 12.37 16.27 Favored Glycine 0 CA--C 1.534 1.25 0 C-N-CA 125.328 1.442 . . . . 0.0 115.431 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.68 -176.48 4.11 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.478 1.639 . . . . 0.0 112.568 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.6 mt -95.71 150.25 20.58 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.258 0.936 . . . . 0.0 112.817 -172.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.93 84.6 1.37 Allowed Glycine 0 N--CA 1.465 0.59 0 C-N-CA 124.957 1.265 . . . . 0.0 112.592 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -98.32 88.26 4.11 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 122.214 1.007 . . . . 0.0 110.842 172.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.42 133.08 41.22 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.922 -1.49 . . . . 0.0 111.96 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 66.8 mt -137.78 139.67 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.543 1.537 . . . . 0.0 108.826 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.66 40.89 99.06 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.894 0.759 . . . . 0.0 112.813 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 53.58 34.13 17.91 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.479 1.912 . . . . 0.0 114.203 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -130.37 131.4 45.3 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.864 1.266 . . . . 0.0 110.508 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.9 t -76.15 110.49 10.68 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.728 0.775 . . . . 0.0 110.522 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -150.65 170.04 20.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.898 2.079 . . . . 0.0 111.089 177.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.41 179.61 4.04 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.76 1.224 . . . . 0.0 111.698 -167.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -76.64 148.97 80.48 Favored Pre-proline 0 N--CA 1.475 0.783 0 O-C-N 121.49 -0.756 . . . . 0.0 112.993 -176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.63 -2.65 12.81 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.734 2.956 . . . . 0.0 114.299 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 116.701 -1.619 . . . . 0.0 113.818 -169.09 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m 59.46 25.02 13.72 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.76 127.34 16.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 t80 63.61 162.49 0.11 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.205 3.002 . . . . 0.0 117.562 177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.2 t -164.75 161.98 20.89 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.213 1.805 . . . . 0.0 111.986 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -110.07 114.4 27.89 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 109.089 156.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.7 tp -130.3 -61.16 0.98 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.458 1.103 . . . . 0.0 111.844 -174.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.49 -11.55 60.72 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -170.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.46 -29.54 13.86 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.055 0.942 . . . . 0.0 112.485 163.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -69.9 -43.46 71.71 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.344 1.458 . . . . 0.0 112.371 -176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -45.79 -42.42 12.14 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.807 1.243 . . . . 0.0 112.349 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.05 -42.42 63.12 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.738 1.215 . . . . 0.0 110.999 -176.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.3 m -69.08 -18.45 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.762 1.225 . . . . 0.0 112.826 174.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -97.69 -14.67 20.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.354 1.461 . . . . 0.0 114.495 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -33.47 74.8 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.519 -1.363 . . . . 0.0 114.596 -168.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -73.19 -12.32 60.83 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.67 0.56 57.49 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.803 0.841 . . . . 0.0 111.95 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.96 31.72 64.17 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.277 0.941 . . . . 0.0 114.605 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -144.74 -172.89 3.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.487 1.115 . . . . 0.0 113.064 -178.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 93.8 mt -94.29 145.58 24.64 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.818 1.247 . . . . 0.0 111.51 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 121.62 6.84 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 167.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -146.25 135.67 22.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.813 1.245 . . . . 0.0 112.471 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 22.8 p -78.79 149.24 32.66 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.964 0.906 . . . . 0.0 113.22 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.5 mm -118.34 -44.15 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 124.851 1.26 . . . . 0.0 111.816 -177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.77 56.23 0.68 Allowed Glycine 0 CA--C 1.527 0.835 0 C-N-CA 126.294 1.902 . . . . 0.0 109.483 165.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 60.06 0.04 0.26 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 128.623 2.769 . . . . 0.0 117.044 -178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -102.05 150.5 23.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.394 1.877 . . . . 0.0 111.502 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.11 126.09 26.09 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.529 1.157 . . . . 0.0 113.704 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -139.62 159.96 40.95 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 129.2 3.0 . . . . 0.0 108.419 162.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HB3' HD21 ' A' ' 19' ' ' LEU . 1.8 m -106.89 155.42 19.77 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.151 0.581 . . . . 0.0 111.851 169.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -66.12 147.05 99.01 Favored Pre-proline 0 N--CA 1.475 0.824 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -168.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -93.58 3.98 3.11 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 123.463 2.775 . . . . 0.0 115.023 -159.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 C--O 1.26 1.657 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -171.53 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.889 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 63.78 -30.58 0.1 Allowed 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.235 2.68 . . . . 0.0 118.235 176.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.38 26.22 1.49 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 120.545 1.52 . . . . 0.0 114.89 -170.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -144.17 139.51 28.81 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.103 1.361 . . . . 0.0 110.715 171.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -153.9 162.82 40.92 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.867 2.067 . . . . 0.0 109.484 -174.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -74.68 60.37 0.91 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.595 -1.316 . . . . 0.0 110.438 164.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.88 -45.27 93.02 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.733 1.213 . . . . 0.0 111.313 -163.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.0 61.76 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.821 1.248 . . . . 0.0 114.292 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.6 -37.07 10.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.919 1.288 . . . . 0.0 112.879 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -73.41 -33.86 65.18 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.016 -1.052 . . . . 0.0 112.408 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -60.02 -20.27 56.95 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.583 1.153 . . . . 0.0 113.361 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.84 -44.99 46.19 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.27 -0.894 . . . . 0.0 111.396 173.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.0 m -72.81 -42.86 63.4 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.943 0.897 . . . . 0.0 111.644 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -72.42 -29.94 64.17 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -30.14 71.14 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.4 -0.812 . . . . 0.0 112.249 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -71.62 -7.67 49.25 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.035 1.334 . . . . 0.0 113.629 171.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.6 mt -104.57 5.22 33.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.249 1.82 . . . . 0.0 112.355 166.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.48 0.62 89.36 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 116.685 -2.175 . . . . 0.0 116.257 -179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.37 -176.35 3.79 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 121.052 2.426 . . . . 0.0 115.579 -176.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -83.54 137.69 33.74 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.616 1.566 . . . . 0.0 109.984 -174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.47 98.59 1.89 Allowed Glycine 0 N--CA 1.465 0.58 0 C-N-CA 124.155 0.883 . . . . 0.0 112.145 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -131.81 122.81 26.38 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.291 1.036 . . . . 0.0 110.509 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.0 p -111.88 157.82 20.18 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.1 mm -119.44 -30.17 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.833 1.253 . . . . 0.0 112.963 -157.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -127.49 28.44 4.49 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.779 1.657 . . . . 0.0 113.666 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 55.58 41.35 30.75 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.152 1.781 . . . . 0.0 113.481 -170.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -140.43 114.03 8.74 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.693 1.197 . . . . 0.0 108.618 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.7 t -54.17 126.55 23.31 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 122.768 1.27 . . . . 0.0 114.232 -157.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.31 157.06 46.55 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 128.602 2.761 . . . . 0.0 110.001 -171.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -116.25 169.36 9.35 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.401 1.08 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -69.79 150.51 96.55 Favored Pre-proline 0 N--CA 1.477 0.896 0 O-C-N 120.784 -1.197 . . . . 0.0 113.439 -169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -83.34 -17.21 6.61 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 C-N-CA 123.79 2.993 . . . . 0.0 113.736 -177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.9 p90 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.114 1.765 . . . . 0.0 113.401 -176.696 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.914 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' H ' ' CD ' ' A' ' 27' ' ' GLU . 43.2 p -82.74 -26.56 31.81 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -170.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.19 137.04 16.19 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.313 1.445 . . . . 0.0 112.277 -175.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -59.96 150.21 29.59 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -168.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.0 t -72.96 128.69 36.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.899 1.68 . . . . 0.0 114.175 -173.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -142.08 91.0 2.3 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.757 2.023 . . . . 0.0 109.545 167.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.21 -38.93 92.8 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.987 -1.071 . . . . 0.0 112.709 -167.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.21 -12.31 61.56 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.76 -30.84 11.85 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.55 1.14 . . . . 0.0 112.153 167.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.27 -40.9 74.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.542 1.537 . . . . 0.0 112.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.23 -41.26 65.22 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.722 -0.611 . . . . 0.0 111.056 169.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.64 -30.57 69.31 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.829 0.851 . . . . 0.0 112.528 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.9 m -76.84 -44.13 33.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.545 1.138 . . . . 0.0 111.381 175.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 53.1 m -74.78 -36.21 62.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.199 0.999 . . . . 0.0 113.334 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -32.12 72.66 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.509 -1.369 . . . . 0.0 112.78 -178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.5 m -62.89 -16.07 57.45 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 174.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.5 mt -94.64 -15.23 24.16 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.181 1.392 . . . . 0.0 112.483 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.87 7.32 29.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.575 1.559 . . . . 0.0 116.741 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -137.95 -175.08 3.97 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.27 1.535 . . . . 0.0 114.05 -174.022 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.9 mt -90.72 144.49 25.68 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.398 1.079 . . . . 0.0 111.257 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.1 132.52 11.05 Favored Glycine 0 N--CA 1.465 0.579 0 C-N-CA 124.382 0.991 . . . . 0.0 113.175 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -132.53 162.1 32.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 174.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.15 98.91 12.03 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.153 -0.967 . . . . 0.0 110.773 169.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.1 mm -117.38 119.63 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.964 1.706 . . . . 0.0 109.973 -173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.17 37.53 94.67 Favored Glycine 0 CA--C 1.534 1.253 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -161.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . 0.401 0.3 OUTLIER 47.76 33.65 3.31 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.876 2.47 . . . . 0.0 116.502 -176.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 2' ' ' SER . 13.5 pt-20 -136.8 160.57 38.46 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.209 1.804 . . . . 0.0 112.024 167.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -65.44 116.1 6.38 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.703 -0.623 . . . . 0.0 112.559 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -143.08 153.59 43.08 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.571 2.349 . . . . 0.0 109.925 172.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' CB ' HD21 ' A' ' 19' ' ' LEU . 3.1 m -106.21 157.07 17.84 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.995 -1.065 . . . . 0.0 113.253 -171.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.17 149.85 53.63 Favored Pre-proline 0 N--CA 1.483 1.206 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -164.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -84.7 41.15 0.93 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.742 4.295 . . . . 0.0 112.265 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.7 t80 . . . . . 0 C--O 1.25 1.091 0 C-N-CA 128.145 2.578 . . . . 0.0 110.315 -173.379 . . . . . . . . 0 0 . 1 stop_ save_