data_6sab_residue ############################ # Computer software used # ############################ 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 6sab _Structure_validation_residue.Date_analyzed 2020-07-17 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 ' 2' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 2.3 mpt? . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 121.327 0.584 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -127.49 33.86 4.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.685 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 40.49 39.69 0.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.237 1.015 . . . . 0.0 113.379 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 5' ' ' ARG . 10.3 ptp180 -125.63 41.79 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.927 0.394 . . . . 0.0 111.916 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t 61.9 27.33 16.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.797 0.808 . . . . 0.0 110.379 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -164.14 25.94 0.07 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.618 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.715 ' O ' ' HG3' ' A' ' 2' ' ' MET . . . -79.34 -2.31 40.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.464 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m 65.69 34.68 7.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.603 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -169.63 -25.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.488 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -61.95 -20.97 64.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.859 0.361 . . . . 0.0 111.051 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 55.7 m -75.64 15.52 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 111.365 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 27.5 mmtp -126.4 -62.61 1.14 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.008 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.01 -48.72 75.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.072 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 5.7 tmtt? -57.75 -41.99 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.245 0.545 . . . . 0.0 110.287 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 3.7 t -69.67 -31.65 69.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.2 -31.85 66.26 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.932 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -79.83 -28.27 40.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.27 -71.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.603 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.694 HG12 ' SG ' ' A' ' 34' ' ' CYS . 37.0 pt -121.82 -6.01 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.732 0.301 . . . . 0.0 111.466 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.81 49.18 2.98 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.834 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.689 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 22.6 t -132.3 159.11 40.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 45.0 pt -116.07 31.01 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.628 0.727 . . . . 0.0 109.976 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -131.35 50.36 2.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.736 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.55 158.85 53.68 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.399 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.4 mmtp -119.11 128.77 54.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.513 0.325 . . . . 0.0 110.34 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 t -43.22 101.74 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.077 0.951 . . . . 0.0 112.542 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -160.39 145.47 14.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.854 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 59.37 42.58 17.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.776 0.43 . . . . 0.0 111.699 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.7 1.24 2.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.775 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' CB ' ' HG3' ' A' ' 15' ' ' LYS . 34.4 mmtp -138.06 -121.48 0.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 m -147.04 153.54 40.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.78 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -123.13 164.02 19.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.243 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.694 ' SG ' HG12 ' A' ' 20' ' ' ILE . 10.0 m . . . . . 0 C--O 1.25 1.081 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.551 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 93.4 mmm . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.32 133.94 49.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.209 0.318 . . . . 0.0 110.382 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.593 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 mtm -62.47 -5.1 2.26 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.445 -174.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 45.0 mtm180 -73.93 63.63 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.6 t 72.0 -32.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.983 0.913 . . . . 0.0 112.588 172.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 5' ' ' ARG . 20.4 t -92.88 25.17 3.28 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.892 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.593 ' HB2' ' HA ' ' A' ' 4' ' ' MET . . . -80.86 1.11 32.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.256 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m 60.27 27.43 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.297 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -173.98 -36.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 12.2 mm-40 -65.24 -36.46 84.19 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -72.55 -6.45 44.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 110.143 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 32.6 mmtp -98.5 -58.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.42 -34.48 72.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.201 -172.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HG2' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -65.24 -32.98 74.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.541 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.736 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 3.6 m -88.07 -15.65 35.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.196 0.522 . . . . 0.0 110.878 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.39 -37.94 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -72.12 -33.54 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.775 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.96 -61.95 2.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.262 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 pt -133.55 -31.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.853 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.13 8.99 4.34 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.232 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -102.14 134.41 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.484 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 36.9 pt -87.36 -4.46 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.536 0.684 . . . . 0.0 110.345 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.79 60.02 2.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.666 0.746 . . . . 0.0 109.628 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.736 ' HA2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.44 155.26 36.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.473 -1.239 . . . . 0.0 115.607 -173.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 14.0 mmmm -99.46 105.02 16.91 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 114.843 -0.679 . . . . 0.0 110.286 174.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 77.0 m -44.95 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.818 0.699 . . . . 0.0 112.43 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 mmt -163.19 149.26 11.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.244 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.38 44.34 27.37 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.375 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 46.5 mmtm 73.21 -35.7 0.33 Allowed 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.001 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG2' ' HG2' ' A' ' 15' ' ' LYS . 3.4 mppt? -106.35 -111.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.028 -0.42 . . . . 0.0 110.133 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 65.9 m -150.5 150.12 30.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.668 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 41.3 mtpt -124.52 139.39 53.92 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 72.8 m . . . . . 0 C--N 1.311 -1.079 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.892 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.442 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 26.3 mmt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.84 148.51 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.221 -175.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -74.92 48.74 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.375 0.67 . . . . 0.0 111.175 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -108.94 41.16 1.66 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.943 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.3 t 69.7 29.07 4.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.269 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -152.58 15.02 0.58 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.048 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . . . -70.13 -1.33 9.73 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.7 p 67.2 -16.55 0.15 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.955 1.302 . . . . 0.0 113.409 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 19.0 m -133.47 24.16 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.465 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -82.26 -39.9 22.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.701 -175.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 74.9 m -76.18 2.5 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 29.9 mmtp -115.32 -38.35 3.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.356 174.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 6.2 mm100 -89.27 -45.61 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.01 -23.07 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.189 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.748 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 9.5 t -81.88 -27.84 33.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.798 0.809 . . . . 0.0 109.432 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -74.19 -37.27 63.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.569 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -74.87 -24.98 58.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.175 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -72.1 -74.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.78 HG12 ' SG ' ' A' ' 34' ' ' CYS . 20.3 pt -115.59 -21.59 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.54 47.15 0.93 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.443 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.748 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 13.9 t -131.33 147.0 52.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.632 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 39.1 pt -102.13 23.72 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.706 0.765 . . . . 0.0 110.037 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -121.65 51.82 1.29 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.113 0.959 . . . . 0.0 109.742 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.67 154.43 52.3 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 113.932 -1.486 . . . . 0.0 114.073 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.68 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mmtm -108.88 128.48 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.433 0.693 . . . . 0.0 109.864 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.31 99.96 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 123.203 0.314 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.4 mmt -153.2 137.25 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' LYS . 75.3 m-20 63.36 34.41 13.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 72.45 -11.15 0.85 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.853 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HB3' ' H ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -115.66 -156.38 0.61 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.68 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 92.8 m -136.15 121.52 19.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 121.045 0.45 . . . . 0.0 111.19 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -94.85 161.0 14.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.764 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.78 ' SG ' HG12 ' A' ' 20' ' ' ILE . 58.2 m . . . . . 0 C--N 1.31 -1.111 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.627 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.575 ' CB ' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mpt? . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.57 149.21 46.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 110.826 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 26.1 ptt? -61.14 -10.35 6.23 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.027 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 77.7 mtp180 -71.63 66.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 t 54.33 38.25 29.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.822 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' MET . 36.0 t -135.09 -26.33 1.31 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.307 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.575 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -58.23 -4.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t 75.38 -24.01 0.23 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.394 0.678 . . . . 0.0 111.804 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ALA . 27.0 m -118.26 10.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.299 0.571 . . . . 0.0 110.306 175.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.31 -38.72 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.946 -175.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 80.2 m -78.78 20.37 0.46 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 41.9 mmtm -137.5 -60.67 0.65 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.662 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.08 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.324 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 73.4 mmtt -70.63 -40.03 73.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.882 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 22.1 p -79.23 -14.45 59.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 121.119 0.485 . . . . 0.0 110.353 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -74.15 -41.09 62.07 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.76 -25.08 61.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.248 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -66.52 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.174 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' A' ' 34' ' ' CYS . 38.9 pt -132.65 6.96 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.69 43.82 14.02 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.377 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -130.55 169.38 15.66 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 HG13 ' CE2' ' A' ' 24' ' ' PHE . 21.9 pt -136.3 41.85 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.355 0.597 . . . . 0.0 111.383 -175.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 23' ' ' ILE . 41.6 m-85 -141.87 46.05 1.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -176.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -59.27 136.38 50.94 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.237 -1.347 . . . . 0.0 115.165 -168.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.4 mmmt -103.89 136.77 42.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.457 -0.872 . . . . 0.0 108.838 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.28 98.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.106 0.479 . . . . 0.0 111.374 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.5 mmt -158.5 154.38 26.64 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.061 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 18.4 m120 57.8 36.59 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.464 . . . . 0.0 109.895 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 62.3 mttp 75.94 -32.77 0.21 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.768 -1.106 . . . . 0.0 112.223 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -111.69 -103.8 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.256 -0.577 . . . . 0.0 109.805 178.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 86.6 m -147.41 132.27 18.05 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.583 0.706 . . . . 0.0 112.032 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -119.53 129.79 54.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.708 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.582 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 41.2 mmm . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -76.59 146.67 38.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.56 60.07 2.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.569 0.7 . . . . 0.0 109.655 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -124.31 53.09 1.45 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.09 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t 55.46 49.52 16.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 2' ' ' MET . 35.7 t -158.35 -16.7 0.07 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.536 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -67.8 -7.55 28.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.476 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t 76.03 6.54 3.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.02 -9.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CD ' ' HB2' ' A' ' 8' ' ' ALA . 2.9 mp0 -66.44 -33.92 76.78 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.803 -0.561 . . . . 0.0 110.605 -174.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.9 m -80.09 11.98 3.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.445 . . . . 0.0 111.063 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 30.2 mmtp -126.58 -47.14 1.57 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.09 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -82.3 -43.22 17.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.383 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 4.7 tmtp? -65.03 -42.46 94.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.276 0.56 . . . . 0.0 109.721 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 9.5 t -63.18 -28.67 70.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.153 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.2 tt -74.31 -32.06 62.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.637 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.63 -37.19 70.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.028 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.751 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 pt -130.28 -10.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.47 43.9 3.08 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.756 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -127.98 148.12 50.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.245 . . . . 0.0 110.855 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.25 32.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.73 0.776 . . . . 0.0 110.497 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.53 46.94 2.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.825 0.822 . . . . 0.0 110.164 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 156.18 52.26 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.294 -1.321 . . . . 0.0 114.321 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.7 mmtp -115.54 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.017 0.927 . . . . 0.0 110.113 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.17 105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.123 0.487 . . . . 0.0 111.891 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.477 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 23.7 mmt -139.55 124.77 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.28 63.09 1.47 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.75 0.656 . . . . 0.0 112.574 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 97.7 mttt 77.18 -29.45 0.17 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.653 173.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -115.05 -157.54 0.64 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m -138.99 134.06 32.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.115 0.483 . . . . 0.0 112.208 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 28' ' ' MET . 31.2 mtpt -107.81 159.73 16.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.435 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.751 ' SG ' HG12 ' A' ' 20' ' ' ILE . 22.4 m . . . . . 0 C--N 1.309 -1.161 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.344 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.573 ' CB ' ' HA ' ' A' ' 8' ' ' ALA . 20.9 mmt . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 5' ' ' ARG . 33.0 t70 -77.83 142.53 38.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 -177.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.434 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -73.78 45.92 0.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.663 0.744 . . . . 0.0 111.794 -177.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 3' ' ' ASP . 17.1 ptp180 -101.1 34.46 2.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.42 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 75.35 29.89 0.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.578 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -158.6 19.55 0.22 Allowed 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.029 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.573 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -74.16 -6.72 49.42 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.172 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 68.97 12.59 8.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.904 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.77 -16.19 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.437 -174.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CD ' ' HB1' ' A' ' 8' ' ' ALA . 4.6 mp0 -66.63 -34.94 78.99 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.686 -0.634 . . . . 0.0 110.256 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.2 m -75.36 11.45 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.718 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 23' ' ' ILE . 9.0 mmmm -127.43 -51.41 1.39 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.967 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -88.11 -41.06 13.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -66.3 -34.45 78.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.445 -179.408 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.706 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 8.8 t -72.57 -27.14 62.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.549 0.69 . . . . 0.0 109.766 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -73.8 -38.85 64.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.02 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.29 -32.91 74.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -76.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.557 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.606 HG12 ' SG ' ' A' ' 34' ' ' CYS . 30.9 pt -114.15 -19.92 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 111.146 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.08 1.57 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.51 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.706 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 14.6 t -124.43 142.46 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.544 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 41.5 pt -101.7 25.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.612 0.72 . . . . 0.0 110.1 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -126.61 49.71 2.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.849 0.833 . . . . 0.0 109.326 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.98 161.13 49.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.786 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -122.77 128.77 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.316 0.246 . . . . 0.0 110.414 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.55 106.59 0.11 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.282 0.633 . . . . 0.0 112.428 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.2 mmt -148.38 133.07 17.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 43.24 54.37 5.08 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 113.359 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 67.2 mttm 73.82 -4.13 2.33 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.817 174.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 4.0 mppt? -131.8 -150.17 0.41 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 173.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 m -135.03 124.86 25.46 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.472 0.653 . . . . 0.0 111.476 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -111.15 144.45 40.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.021 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' HG12 ' A' ' 20' ' ' ILE . 3.4 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.464 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.526 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 80.5 mmm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.53 145.87 54.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.74 53.08 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.064 0.935 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -109.74 37.03 2.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.162 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.9 t 66.82 36.73 4.39 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 122.252 1.025 . . . . 0.0 109.08 -176.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -157.48 17.26 0.27 Allowed 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.101 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -70.94 -17.0 62.7 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.385 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t 72.09 14.0 5.75 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 124.046 0.841 . . . . 0.0 110.419 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 14' ' ' GLN . 9.9 p -148.09 -9.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG3' ' HB1' ' A' ' 8' ' ' ALA . 1.4 mp0 -67.05 -37.18 83.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.636 -0.665 . . . . 0.0 110.32 -174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 23.3 m -77.78 12.5 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.705 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -126.78 -50.14 1.48 Allowed 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.235 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.435 ' HG2' HG22 ' A' ' 10' ' ' VAL . 29.6 mm-40 -82.98 -42.22 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG2' ' HB3' ' A' ' 31' ' ' LYS . 14.8 tptp -64.49 -38.4 90.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 5.4 t -59.34 -34.95 72.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.227 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -38.87 41.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.196 -176.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.1 -23.63 62.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.996 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.33 -74.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 pt -128.32 13.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.932 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.09 42.5 36.24 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.346 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.592 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -124.41 167.2 14.71 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.288 0.235 . . . . 0.0 110.457 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 pt -128.12 35.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.52 0.676 . . . . 0.0 110.406 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.93 51.17 2.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.904 0.859 . . . . 0.0 109.385 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.642 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -68.93 155.79 53.54 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.119 -1.4 . . . . 0.0 114.516 -173.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 31.8 mmmt -107.12 118.66 37.3 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.168 0.587 . . . . 0.0 110.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.02 101.16 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.901 0.48 . . . . 0.0 112.006 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 83.1 mmm -155.25 129.4 8.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.1 m120 64.59 42.59 4.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.535 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 4' ' ' MET . 61.7 mttp 73.53 -10.37 1.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.193 0.597 . . . . 0.0 112.1 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 3.9 mppt? -125.81 -152.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 95.6 m -138.26 129.6 27.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -100.19 158.01 16.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.098 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.642 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 66.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.993 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.574 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 4.9 mpp? . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 121.714 0.768 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.35 -0.64 17.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.5 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . 23.5 ptp 46.93 25.74 0.5 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.445 1.498 . . . . 0.0 112.994 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 46.3 mtp180 -137.01 64.51 1.53 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 50.36 41.67 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.88 0.847 . . . . 0.0 110.306 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 t -164.56 10.65 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.956 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.574 ' CB ' ' HA ' ' A' ' 2' ' ' MET . . . -82.56 -78.42 0.21 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.635 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -174.63 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.315 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.62 14.54 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -166.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' CD ' ' HB2' ' A' ' 8' ' ' ALA . 2.3 mp0 -70.26 -32.8 70.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.989 -0.444 . . . . 0.0 111.664 -172.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 32' ' ' CYS . 57.8 m -83.89 10.42 9.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.369 0.604 . . . . 0.0 110.391 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HD2' ' HB ' ' A' ' 23' ' ' ILE . 72.6 mmtt -122.04 -54.89 1.9 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.101 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -70.6 -39.45 73.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.212 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 2.2 mmmm -67.59 -30.39 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.649 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 10.8 t -76.61 -31.11 57.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.427 0.632 . . . . 0.0 109.97 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.453 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.55 -25.59 45.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.614 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.21 -62.8 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.647 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.538 HG12 ' SG ' ' A' ' 34' ' ' CYS . 24.6 pt -140.42 19.02 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.14 48.86 61.58 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.923 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.798 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 53.6 m -130.6 160.03 35.41 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.434 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 43.7 pt -120.21 41.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.56 0.695 . . . . 0.0 110.259 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -139.01 52.0 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.915 0.864 . . . . 0.0 110.168 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.23 156.4 51.33 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.864 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -122.86 131.27 53.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 28' ' ' MET . 64.2 m -43.88 108.91 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.808 0.843 . . . . 0.0 112.806 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -156.47 132.88 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.652 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 89.5 m-20 56.87 53.16 8.45 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.373 0.42 . . . . 0.0 111.245 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 30.5 mtmm 74.33 -36.49 0.33 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.171 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' NZ ' ' HB2' ' A' ' 4' ' ' MET . 3.2 mptp? -105.43 -125.77 0.23 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 84.6 m -150.59 154.55 37.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.016 -176.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -139.52 152.25 46.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.561 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.538 ' SG ' HG12 ' A' ' 20' ' ' ILE . 1.5 p . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.542 173.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.521 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 25.4 mmt . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 5' ' ' ARG . 18.1 t70 -66.35 143.94 56.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.963 0.411 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.487 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -75.58 52.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.783 0.801 . . . . 0.0 110.433 179.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 3' ' ' ASP . 14.9 ptm180 -110.73 43.0 1.49 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.644 173.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 t 58.61 24.47 12.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.074 -172.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -127.55 11.28 6.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.995 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -72.99 -9.04 58.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.313 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t 75.56 -10.76 1.2 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.479 0.712 . . . . 0.0 112.084 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.49 -14.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 18.8 mm-40 -72.44 -29.08 63.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -170.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -73.14 -25.29 60.77 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.625 -0.83 . . . . 0.0 110.045 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 36.5 mmtm -82.44 -47.19 12.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.614 176.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.74 -45.69 60.92 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.141 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 4.1 tmtp? -58.31 -44.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.719 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 4.4 t -66.26 -32.72 74.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.814 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -25.79 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -89.13 -26.46 21.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.395 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -75.62 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.643 HG12 ' SG ' ' A' ' 34' ' ' CYS . 36.0 pt -116.39 -11.33 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 111.041 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.56 45.51 2.5 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.632 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.719 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.6 t -131.75 169.73 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.577 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 46.6 pt -120.79 29.48 2.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.523 0.678 . . . . 0.0 110.376 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.453 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 37.7 m-85 -126.26 53.86 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.817 0.818 . . . . 0.0 109.944 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.7 143.45 35.26 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 114.568 -1.196 . . . . 0.0 113.352 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -109.97 132.13 54.44 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.7 m -44.23 111.29 0.28 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.358 0.663 . . . . 0.0 112.54 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.0 121.99 5.49 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.526 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 31' ' ' LYS . 74.6 m-20 60.06 53.3 4.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.513 0.508 . . . . 0.0 110.741 176.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 4' ' ' MET . 26.6 mtpp 70.34 -33.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.284 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -103.34 -127.09 0.22 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 176.034 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' H ' ' HB3' ' A' ' 31' ' ' LYS . 91.4 m -147.76 163.93 35.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.36 0.6 . . . . 0.0 111.835 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -139.92 139.21 36.12 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.728 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' A' ' 20' ' ' ILE . 23.3 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.574 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 73.3 mtp . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.254 0.55 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 4' ' ' MET . 29.6 t70 -114.58 5.16 15.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.19 -175.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.558 ' N ' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 46.32 26.8 0.51 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.779 1.232 . . . . 0.0 113.174 -175.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 3' ' ' ASP . 49.2 mtp180 -129.34 61.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 t 72.48 23.13 3.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.813 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -165.96 12.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.888 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB1' ' N ' ' A' ' 4' ' ' MET . . . -75.46 -1.4 23.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -174.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m 70.67 20.02 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.278 0.361 . . . . 0.0 111.437 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.98 -29.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 mp0 -62.97 -32.22 73.51 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.962 0.411 . . . . 0.0 110.326 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 63.3 m -69.9 -0.97 8.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -113.8 -52.72 2.73 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.189 0.518 . . . . 0.0 109.777 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -72.46 -35.81 68.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.642 -172.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.68 -47.51 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 109.625 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' SG ' ' CA ' ' A' ' 25' ' ' GLY . 36.3 m -63.12 -29.53 70.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.892 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -35.53 81.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.76 -32.06 46.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.241 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.23 -73.01 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.71 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.9 -13.55 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.38 . . . . 0.0 111.747 -175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.93 55.18 1.32 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.544 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -139.0 163.66 31.8 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 pt -128.69 33.08 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.907 0.86 . . . . 0.0 109.962 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -131.5 52.01 2.1 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.085 0.945 . . . . 0.0 108.962 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.527 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -74.48 155.47 48.67 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 113.657 -1.611 . . . . 0.0 115.153 -172.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.08 128.05 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.58 -0.81 . . . . 0.0 109.546 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 28' ' ' MET . 35.0 t -46.7 112.18 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.523 0.515 . . . . 0.0 111.272 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 65.6 mmm -162.23 131.24 4.3 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' LYS . 73.0 m-20 57.94 59.63 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.846 172.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' C ' ' HD2' ' A' ' 31' ' ' LYS . 27.9 mtpp 74.08 -27.27 0.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.174 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.52 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 1.3 mptm? -125.22 -114.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 92.3 m -147.1 164.82 31.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.88 0.372 . . . . 0.0 110.607 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -150.0 141.17 23.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.05 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 77.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.734 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.715 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 2.3 mpt? 60.38 83.62 0.14 Allowed 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.327 0.584 . . . . 0.0 109.987 -176.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -127.49 33.86 4.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.685 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 40.49 39.69 0.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.237 1.015 . . . . 0.0 113.379 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 5' ' ' ARG . 10.3 ptp180 -125.63 41.79 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.927 0.394 . . . . 0.0 111.916 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.9 t 61.9 27.33 16.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.797 0.808 . . . . 0.0 110.379 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -164.14 25.94 0.07 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.618 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.715 ' O ' ' HG3' ' A' ' 2' ' ' MET . . . -79.34 -2.31 40.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.464 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m 65.69 34.68 7.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.603 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -169.63 -25.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.488 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -61.95 -20.97 64.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.859 0.361 . . . . 0.0 111.051 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 55.7 m -75.64 15.52 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 111.365 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 27.5 mmtp -126.4 -62.61 1.14 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.008 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.01 -48.72 75.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.072 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 5.7 tmtt? -57.75 -41.99 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.245 0.545 . . . . 0.0 110.287 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 3.7 t -69.67 -31.65 69.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.2 -31.85 66.26 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.932 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -79.83 -28.27 40.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.27 -71.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.603 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.694 HG12 ' SG ' ' A' ' 34' ' ' CYS . 37.0 pt -121.82 -6.01 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.732 0.301 . . . . 0.0 111.466 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.81 49.18 2.98 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.834 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.689 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 22.6 t -132.3 159.11 40.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 45.0 pt -116.07 31.01 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.628 0.727 . . . . 0.0 109.976 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -131.35 50.36 2.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.736 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.55 158.85 53.68 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.399 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.4 mmtp -119.11 128.77 54.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.513 0.325 . . . . 0.0 110.34 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 t -43.22 101.74 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.077 0.951 . . . . 0.0 112.542 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -160.39 145.47 14.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.854 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 59.37 42.58 17.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.776 0.43 . . . . 0.0 111.699 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 67.7 1.24 2.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.775 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' CB ' ' HG3' ' A' ' 15' ' ' LYS . 34.4 mmtp -138.06 -121.48 0.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.472 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 m -147.04 153.54 40.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.78 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -123.13 164.02 19.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.243 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.694 ' SG ' HG12 ' A' ' 20' ' ' ILE . 10.0 m . . . . . 0 C--O 1.25 1.081 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.551 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 93.4 mmm -99.79 155.42 17.66 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.32 133.94 49.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.209 0.318 . . . . 0.0 110.382 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.593 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 mtm -62.47 -5.1 2.26 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.445 -174.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 45.0 mtm180 -73.93 63.63 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.6 t 72.0 -32.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.983 0.913 . . . . 0.0 112.588 172.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 5' ' ' ARG . 20.4 t -92.88 25.17 3.28 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.892 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.593 ' HB2' ' HA ' ' A' ' 4' ' ' MET . . . -80.86 1.11 32.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.256 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m 60.27 27.43 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.297 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -173.98 -36.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 12.2 mm-40 -65.24 -36.46 84.19 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -72.55 -6.45 44.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 110.143 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 32.6 mmtp -98.5 -58.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.42 -34.48 72.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.201 -172.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' HG2' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -65.24 -32.98 74.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.541 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.736 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 3.6 m -88.07 -15.65 35.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.196 0.522 . . . . 0.0 110.878 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.39 -37.94 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -72.12 -33.54 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.775 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.96 -61.95 2.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.262 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 pt -133.55 -31.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.853 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.13 8.99 4.34 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.232 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -102.14 134.41 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.484 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 36.9 pt -87.36 -4.46 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.536 0.684 . . . . 0.0 110.345 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.79 60.02 2.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.666 0.746 . . . . 0.0 109.628 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.736 ' HA2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.44 155.26 36.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.473 -1.239 . . . . 0.0 115.607 -173.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 14.0 mmmm -99.46 105.02 16.91 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 114.843 -0.679 . . . . 0.0 110.286 174.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 77.0 m -44.95 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.818 0.699 . . . . 0.0 112.43 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 mmt -163.19 149.26 11.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.244 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.38 44.34 27.37 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.375 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 46.5 mmtm 73.21 -35.7 0.33 Allowed 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.001 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG2' ' HG2' ' A' ' 15' ' ' LYS . 3.4 mppt? -106.35 -111.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.028 -0.42 . . . . 0.0 110.133 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 65.9 m -150.5 150.12 30.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.668 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 41.3 mtpt -124.52 139.39 53.92 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 72.8 m . . . . . 0 C--N 1.311 -1.079 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.892 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.442 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 26.3 mmt -127.01 166.76 16.96 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.84 148.51 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.221 -175.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -74.92 48.74 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.375 0.67 . . . . 0.0 111.175 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -108.94 41.16 1.66 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.943 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.3 t 69.7 29.07 4.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.269 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -152.58 15.02 0.58 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.048 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 11' ' ' GLU . . . -70.13 -1.33 9.73 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.7 p 67.2 -16.55 0.15 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.955 1.302 . . . . 0.0 113.409 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.517 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 19.0 m -133.47 24.16 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.465 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -82.26 -39.9 22.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.701 -175.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 74.9 m -76.18 2.5 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 29.9 mmtp -115.32 -38.35 3.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.356 174.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 6.2 mm100 -89.27 -45.61 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.01 -23.07 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.189 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.748 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 9.5 t -81.88 -27.84 33.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.798 0.809 . . . . 0.0 109.432 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -74.19 -37.27 63.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.569 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -74.87 -24.98 58.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.175 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . . . -72.1 -74.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.78 HG12 ' SG ' ' A' ' 34' ' ' CYS . 20.3 pt -115.59 -21.59 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.54 47.15 0.93 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.443 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.748 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 13.9 t -131.33 147.0 52.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.632 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 39.1 pt -102.13 23.72 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.706 0.765 . . . . 0.0 110.037 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -121.65 51.82 1.29 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.113 0.959 . . . . 0.0 109.742 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.67 154.43 52.3 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 113.932 -1.486 . . . . 0.0 114.073 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.68 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mmtm -108.88 128.48 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.433 0.693 . . . . 0.0 109.864 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.31 99.96 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 123.203 0.314 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.4 mmt -153.2 137.25 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 31' ' ' LYS . 75.3 m-20 63.36 34.41 13.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 72.45 -11.15 0.85 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.853 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HB3' ' H ' ' A' ' 32' ' ' CYS . 0.6 OUTLIER -115.66 -156.38 0.61 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.68 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 92.8 m -136.15 121.52 19.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 121.045 0.45 . . . . 0.0 111.19 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -94.85 161.0 14.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.764 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.78 ' SG ' HG12 ' A' ' 20' ' ' ILE . 58.2 m . . . . . 0 C--N 1.31 -1.111 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.627 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.615 ' HG2' ' SD ' ' A' ' 2' ' ' MET . 4.0 pm0 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.521 0.201 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.615 ' SD ' ' HG2' ' A' ' 1' ' ' GLN . 1.5 mpt? -89.16 120.86 30.92 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.57 149.21 46.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 110.826 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 26.1 ptt? -61.14 -10.35 6.23 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.027 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 77.7 mtp180 -71.63 66.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 t 54.33 38.25 29.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.822 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.506 ' C ' ' HB3' ' A' ' 2' ' ' MET . 36.0 t -135.09 -26.33 1.31 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.307 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.575 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -58.23 -4.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t 75.38 -24.01 0.23 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.394 0.678 . . . . 0.0 111.804 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' H ' ' C ' ' A' ' 8' ' ' ALA . 27.0 m -118.26 10.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.299 0.571 . . . . 0.0 110.306 175.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -74.31 -38.72 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.946 -175.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.552 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 80.2 m -78.78 20.37 0.46 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 41.9 mmtm -137.5 -60.67 0.65 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.662 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.08 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.324 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 73.4 mmtt -70.63 -40.03 73.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.882 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 22.1 p -79.23 -14.45 59.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 121.119 0.485 . . . . 0.0 110.353 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -74.15 -41.09 62.07 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.76 -25.08 61.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.248 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -66.52 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.174 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' A' ' 34' ' ' CYS . 38.9 pt -132.65 6.96 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.69 43.82 14.02 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.377 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -130.55 169.38 15.66 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 HG13 ' CE2' ' A' ' 24' ' ' PHE . 21.9 pt -136.3 41.85 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.355 0.597 . . . . 0.0 111.383 -175.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CE2' HG13 ' A' ' 23' ' ' ILE . 41.6 m-85 -141.87 46.05 1.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -176.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -59.27 136.38 50.94 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.237 -1.347 . . . . 0.0 115.165 -168.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.4 mmmt -103.89 136.77 42.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.457 -0.872 . . . . 0.0 108.838 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.28 98.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.106 0.479 . . . . 0.0 111.374 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.5 mmt -158.5 154.38 26.64 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.061 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 18.4 m120 57.8 36.59 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.464 . . . . 0.0 109.895 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 62.3 mttp 75.94 -32.77 0.21 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.768 -1.106 . . . . 0.0 112.223 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -111.69 -103.8 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.256 -0.577 . . . . 0.0 109.805 178.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.552 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 86.6 m -147.41 132.27 18.05 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.583 0.706 . . . . 0.0 112.032 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -119.53 129.79 54.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.708 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.858 0.361 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.582 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 41.2 mmm -85.14 167.18 15.98 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 172.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -76.59 146.67 38.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.1 mtm -78.56 60.07 2.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.569 0.7 . . . . 0.0 109.655 -176.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -124.31 53.09 1.45 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.09 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t 55.46 49.52 16.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 2' ' ' MET . 35.7 t -158.35 -16.7 0.07 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.536 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.582 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -67.8 -7.55 28.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.476 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t 76.03 6.54 3.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.02 -9.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' CD ' ' HB2' ' A' ' 8' ' ' ALA . 2.9 mp0 -66.44 -33.92 76.78 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.803 -0.561 . . . . 0.0 110.605 -174.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.9 m -80.09 11.98 3.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.445 . . . . 0.0 111.063 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 30.2 mmtp -126.58 -47.14 1.57 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.09 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -82.3 -43.22 17.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.383 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 4.7 tmtp? -65.03 -42.46 94.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.276 0.56 . . . . 0.0 109.721 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 9.5 t -63.18 -28.67 70.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.153 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.2 tt -74.31 -32.06 62.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.637 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.63 -37.19 70.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.028 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.751 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 pt -130.28 -10.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.47 43.9 3.08 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.756 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -127.98 148.12 50.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.245 . . . . 0.0 110.855 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.25 32.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.73 0.776 . . . . 0.0 110.497 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.53 46.94 2.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.825 0.822 . . . . 0.0 110.164 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 156.18 52.26 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.294 -1.321 . . . . 0.0 114.321 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.632 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.7 mmtp -115.54 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.017 0.927 . . . . 0.0 110.113 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.17 105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.123 0.487 . . . . 0.0 111.891 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.477 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 23.7 mmt -139.55 124.77 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.28 63.09 1.47 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.75 0.656 . . . . 0.0 112.574 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 97.7 mttt 77.18 -29.45 0.17 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.653 173.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -115.05 -157.54 0.64 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.632 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m -138.99 134.06 32.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.115 0.483 . . . . 0.0 112.208 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.477 ' HG3' ' HB2' ' A' ' 28' ' ' MET . 31.2 mtpt -107.81 159.73 16.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.435 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.751 ' SG ' HG12 ' A' ' 20' ' ' ILE . 22.4 m . . . . . 0 C--N 1.309 -1.161 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.344 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.573 ' CB ' ' HA ' ' A' ' 8' ' ' ALA . 20.9 mmt -81.74 164.09 21.98 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.537 177.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 5' ' ' ARG . 33.0 t70 -77.83 142.53 38.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 -177.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.434 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -73.78 45.92 0.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.663 0.744 . . . . 0.0 111.794 -177.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 3' ' ' ASP . 17.1 ptp180 -101.1 34.46 2.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.42 177.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 75.35 29.89 0.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.578 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -158.6 19.55 0.22 Allowed 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.029 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.573 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -74.16 -6.72 49.42 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.172 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 68.97 12.59 8.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.904 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.77 -16.19 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.437 -174.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' CD ' ' HB1' ' A' ' 8' ' ' ALA . 4.6 mp0 -66.63 -34.94 78.99 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.686 -0.634 . . . . 0.0 110.256 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.2 m -75.36 11.45 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.718 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 23' ' ' ILE . 9.0 mmmm -127.43 -51.41 1.39 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.967 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -88.11 -41.06 13.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -66.3 -34.45 78.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.445 -179.408 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.706 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 8.8 t -72.57 -27.14 62.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.549 0.69 . . . . 0.0 109.766 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -73.8 -38.85 64.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.02 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.29 -32.91 74.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -76.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.557 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.606 HG12 ' SG ' ' A' ' 34' ' ' CYS . 30.9 pt -114.15 -19.92 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 111.146 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.08 1.57 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.51 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.706 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 14.6 t -124.43 142.46 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.544 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 41.5 pt -101.7 25.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.612 0.72 . . . . 0.0 110.1 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -126.61 49.71 2.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.849 0.833 . . . . 0.0 109.326 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.98 161.13 49.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.786 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -122.77 128.77 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.316 0.246 . . . . 0.0 110.414 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.55 106.59 0.11 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.282 0.633 . . . . 0.0 112.428 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.2 mmt -148.38 133.07 17.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 43.24 54.37 5.08 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 113.359 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 67.2 mttm 73.82 -4.13 2.33 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.817 174.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 4.0 mppt? -131.8 -150.17 0.41 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 173.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 m -135.03 124.86 25.46 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.472 0.653 . . . . 0.0 111.476 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -111.15 144.45 40.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.021 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' HG12 ' A' ' 20' ' ' ILE . 3.4 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.464 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.49 ' NE2' ' H2 ' ' A' ' 1' ' ' GLN . 2.2 mp0 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.526 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 80.5 mmm -104.66 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.53 145.87 54.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.74 53.08 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.064 0.935 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -109.74 37.03 2.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.162 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.9 t 66.82 36.73 4.39 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 122.252 1.025 . . . . 0.0 109.08 -176.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 m -157.48 17.26 0.27 Allowed 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.101 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -70.94 -17.0 62.7 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.385 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t 72.09 14.0 5.75 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 124.046 0.841 . . . . 0.0 110.419 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 14' ' ' GLN . 9.9 p -148.09 -9.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' HG3' ' HB1' ' A' ' 8' ' ' ALA . 1.4 mp0 -67.05 -37.18 83.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.636 -0.665 . . . . 0.0 110.32 -174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 23.3 m -77.78 12.5 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.705 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -126.78 -50.14 1.48 Allowed 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.235 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.435 ' HG2' HG22 ' A' ' 10' ' ' VAL . 29.6 mm-40 -82.98 -42.22 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' HG2' ' HB3' ' A' ' 31' ' ' LYS . 14.8 tptp -64.49 -38.4 90.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 5.4 t -59.34 -34.95 72.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.227 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -38.87 41.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.196 -176.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.1 -23.63 62.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.996 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.33 -74.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 pt -128.32 13.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.932 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.09 42.5 36.24 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.346 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.592 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -124.41 167.2 14.71 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.288 0.235 . . . . 0.0 110.457 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 pt -128.12 35.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.52 0.676 . . . . 0.0 110.406 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.93 51.17 2.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.904 0.859 . . . . 0.0 109.385 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.642 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -68.93 155.79 53.54 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.119 -1.4 . . . . 0.0 114.516 -173.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 31.8 mmmt -107.12 118.66 37.3 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.168 0.587 . . . . 0.0 110.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.02 101.16 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.901 0.48 . . . . 0.0 112.006 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 83.1 mmm -155.25 129.4 8.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.1 m120 64.59 42.59 4.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.535 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 4' ' ' MET . 61.7 mttp 73.53 -10.37 1.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.193 0.597 . . . . 0.0 112.1 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 3.9 mppt? -125.81 -152.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 95.6 m -138.26 129.6 27.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -100.19 158.01 16.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.098 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.642 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 66.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.993 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.589 0.233 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.574 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 4.9 mpp? 67.56 99.64 0.05 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.743 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.35 -0.64 17.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.5 ' HB2' ' NZ ' ' A' ' 31' ' ' LYS . 23.5 ptp 46.93 25.74 0.5 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.445 1.498 . . . . 0.0 112.994 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 46.3 mtp180 -137.01 64.51 1.53 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 50.36 41.67 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.88 0.847 . . . . 0.0 110.306 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 t -164.56 10.65 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.956 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.574 ' CB ' ' HA ' ' A' ' 2' ' ' MET . . . -82.56 -78.42 0.21 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.635 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -174.63 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.315 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.62 14.54 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -166.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' CD ' ' HB2' ' A' ' 8' ' ' ALA . 2.3 mp0 -70.26 -32.8 70.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.989 -0.444 . . . . 0.0 111.664 -172.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 32' ' ' CYS . 57.8 m -83.89 10.42 9.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.369 0.604 . . . . 0.0 110.391 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HD2' ' HB ' ' A' ' 23' ' ' ILE . 72.6 mmtt -122.04 -54.89 1.9 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.101 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -70.6 -39.45 73.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.212 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 2.2 mmmm -67.59 -30.39 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.649 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 10.8 t -76.61 -31.11 57.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.427 0.632 . . . . 0.0 109.97 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.453 179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.55 -25.59 45.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.614 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.21 -62.8 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.647 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.538 HG12 ' SG ' ' A' ' 34' ' ' CYS . 24.6 pt -140.42 19.02 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.14 48.86 61.58 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.923 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.798 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 53.6 m -130.6 160.03 35.41 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.434 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 43.7 pt -120.21 41.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.56 0.695 . . . . 0.0 110.259 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -139.01 52.0 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.915 0.864 . . . . 0.0 110.168 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.23 156.4 51.33 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.864 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -122.86 131.27 53.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 28' ' ' MET . 64.2 m -43.88 108.91 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.808 0.843 . . . . 0.0 112.806 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -156.47 132.88 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.652 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 89.5 m-20 56.87 53.16 8.45 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.373 0.42 . . . . 0.0 111.245 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 30.5 mtmm 74.33 -36.49 0.33 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.171 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' NZ ' ' HB2' ' A' ' 4' ' ' MET . 3.2 mptp? -105.43 -125.77 0.23 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 84.6 m -150.59 154.55 37.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.016 -176.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -139.52 152.25 46.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.561 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.538 ' SG ' HG12 ' A' ' 20' ' ' ILE . 1.5 p . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.542 173.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.176 0.512 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.521 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 25.4 mmt -92.1 157.86 16.51 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 175.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 5' ' ' ARG . 18.1 t70 -66.35 143.94 56.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.963 0.411 . . . . 0.0 110.966 -173.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.487 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -75.58 52.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.783 0.801 . . . . 0.0 110.433 179.071 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 3' ' ' ASP . 14.9 ptm180 -110.73 43.0 1.49 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.644 173.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 t 58.61 24.47 12.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.074 -172.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -127.55 11.28 6.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.995 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -72.99 -9.04 58.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.313 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t 75.56 -10.76 1.2 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.479 0.712 . . . . 0.0 112.084 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.49 -14.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 18.8 mm-40 -72.44 -29.08 63.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -170.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -73.14 -25.29 60.77 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.625 -0.83 . . . . 0.0 110.045 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.577 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 36.5 mmtm -82.44 -47.19 12.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.614 176.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.74 -45.69 60.92 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.141 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 4.1 tmtp? -58.31 -44.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.719 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 4.4 t -66.26 -32.72 74.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.814 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -25.79 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -89.13 -26.46 21.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.395 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -75.62 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.643 HG12 ' SG ' ' A' ' 34' ' ' CYS . 36.0 pt -116.39 -11.33 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 111.041 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.56 45.51 2.5 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.632 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.719 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.6 t -131.75 169.73 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.577 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 46.6 pt -120.79 29.48 2.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.523 0.678 . . . . 0.0 110.376 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.453 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 37.7 m-85 -126.26 53.86 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.817 0.818 . . . . 0.0 109.944 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.7 143.45 35.26 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 114.568 -1.196 . . . . 0.0 113.352 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -109.97 132.13 54.44 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.7 m -44.23 111.29 0.28 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.358 0.663 . . . . 0.0 112.54 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.0 121.99 5.49 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.526 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 31' ' ' LYS . 74.6 m-20 60.06 53.3 4.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.513 0.508 . . . . 0.0 110.741 176.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 4' ' ' MET . 26.6 mtpp 70.34 -33.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.284 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -103.34 -127.09 0.22 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 176.034 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.424 ' H ' ' HB3' ' A' ' 31' ' ' LYS . 91.4 m -147.76 163.93 35.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.36 0.6 . . . . 0.0 111.835 -178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -139.92 139.21 36.12 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.728 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' HG12 ' A' ' 20' ' ' ILE . 23.3 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.574 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 73.3 mtp 64.33 97.07 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.845 0.716 . . . . 0.0 111.453 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 4' ' ' MET . 29.6 t70 -114.58 5.16 15.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.19 -175.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.558 ' N ' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 46.32 26.8 0.51 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.779 1.232 . . . . 0.0 113.174 -175.418 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 3' ' ' ASP . 49.2 mtp180 -129.34 61.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 t 72.48 23.13 3.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.813 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -165.96 12.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.888 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB1' ' N ' ' A' ' 4' ' ' MET . . . -75.46 -1.4 23.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -174.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m 70.67 20.02 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.278 0.361 . . . . 0.0 111.437 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.98 -29.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 mp0 -62.97 -32.22 73.51 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.962 0.411 . . . . 0.0 110.326 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 63.3 m -69.9 -0.97 8.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -113.8 -52.72 2.73 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.189 0.518 . . . . 0.0 109.777 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -72.46 -35.81 68.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.642 -172.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.68 -47.51 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 109.625 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' SG ' ' CA ' ' A' ' 25' ' ' GLY . 36.3 m -63.12 -29.53 70.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.892 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -35.53 81.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.76 -32.06 46.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.241 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.23 -73.01 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.71 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.9 -13.55 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.38 . . . . 0.0 111.747 -175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.93 55.18 1.32 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.544 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -139.0 163.66 31.8 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 pt -128.69 33.08 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.907 0.86 . . . . 0.0 109.962 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -131.5 52.01 2.1 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.085 0.945 . . . . 0.0 108.962 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.527 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -74.48 155.47 48.67 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 113.657 -1.611 . . . . 0.0 115.153 -172.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.08 128.05 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.58 -0.81 . . . . 0.0 109.546 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 28' ' ' MET . 35.0 t -46.7 112.18 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.523 0.515 . . . . 0.0 111.272 179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 65.6 mmm -162.23 131.24 4.3 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -173.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 31' ' ' LYS . 73.0 m-20 57.94 59.63 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.846 172.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' C ' ' HD2' ' A' ' 31' ' ' LYS . 27.9 mtpp 74.08 -27.27 0.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.174 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.52 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 1.3 mptm? -125.22 -114.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.446 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 92.3 m -147.1 164.82 31.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.88 0.372 . . . . 0.0 110.607 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -150.0 141.17 23.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.05 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 77.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.734 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.716 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 2.3 mpt? . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 121.327 0.584 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -127.49 33.86 4.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.685 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 40.49 39.69 0.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.237 1.015 . . . . 0.0 113.379 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 5' ' ' ARG . 10.3 ptp180 -125.63 41.79 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.927 0.394 . . . . 0.0 111.916 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 11.9 t 61.9 27.33 16.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.797 0.808 . . . . 0.0 110.379 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -164.14 25.94 0.07 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.618 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.716 ' O ' ' HG3' ' A' ' 2' ' ' MET . . . -79.34 -2.31 40.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.464 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m 65.69 34.68 7.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.603 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -169.63 -25.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -61.95 -20.97 64.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.859 0.361 . . . . 0.0 111.051 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 55.7 m -75.64 15.52 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 111.365 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 27.5 mmtp -126.4 -62.61 1.14 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.008 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.01 -48.72 75.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.072 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 5.7 tmtt? -57.75 -41.99 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.245 0.545 . . . . 0.0 110.287 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 3.7 t -69.67 -31.65 69.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.2 -31.85 66.26 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.932 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -79.83 -28.27 40.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.27 -71.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.603 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.697 HG12 ' SG ' ' A' ' 34' ' ' CYS . 37.0 pt -121.82 -6.01 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.732 0.301 . . . . 0.0 111.466 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.81 49.18 2.98 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.834 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.687 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 22.6 t -132.3 159.11 40.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 45.0 pt -116.07 31.01 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.628 0.727 . . . . 0.0 109.976 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -131.35 50.36 2.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.736 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.55 158.85 53.68 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.399 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.4 mmtp -119.11 128.77 54.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.513 0.325 . . . . 0.0 110.34 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 t -43.22 101.74 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.077 0.951 . . . . 0.0 112.542 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -160.39 145.47 14.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.854 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 59.37 42.58 17.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.776 0.43 . . . . 0.0 111.699 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 73.8 mmtt 67.7 1.24 2.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.775 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' HG3' ' A' ' 15' ' ' LYS . 34.4 mmtp -138.06 -121.48 0.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 m -147.04 153.54 40.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.78 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -123.13 164.02 19.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.243 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.697 ' SG ' HG12 ' A' ' 20' ' ' ILE . 10.0 m . . . . . 0 C--O 1.25 1.081 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.62 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 93.4 mmm . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.32 133.94 49.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.209 0.318 . . . . 0.0 110.382 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.755 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 mtm -62.47 -5.1 2.26 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.445 -174.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 45.0 mtm180 -73.93 63.63 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.6 t 72.0 -32.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.983 0.913 . . . . 0.0 112.588 172.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' ARG . 20.4 t -92.88 25.17 3.28 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.892 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB2' ' HA ' ' A' ' 4' ' ' MET . . . -80.86 1.11 32.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.256 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m 60.27 27.43 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.297 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -173.98 -36.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 12.2 mm-40 -65.24 -36.46 84.19 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -72.55 -6.45 44.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 110.143 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 32.6 mmtp -98.5 -58.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.42 -34.48 72.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.201 -172.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' HG2' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -65.24 -32.98 74.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.541 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.751 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 3.6 m -88.07 -15.65 35.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.196 0.522 . . . . 0.0 110.878 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.39 -37.94 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -72.12 -33.54 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.775 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.96 -61.95 2.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.262 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 pt -133.55 -31.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.853 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.13 8.99 4.34 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.232 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -102.14 134.41 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 36.9 pt -87.36 -4.46 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.536 0.684 . . . . 0.0 110.345 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.79 60.02 2.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.666 0.746 . . . . 0.0 109.628 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.751 ' HA2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.44 155.26 36.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.473 -1.239 . . . . 0.0 115.607 -173.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 14.0 mmmm -99.46 105.02 16.91 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 114.843 -0.679 . . . . 0.0 110.286 174.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 77.0 m -44.95 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.818 0.699 . . . . 0.0 112.43 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 mmt -163.19 149.26 11.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.244 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.38 44.34 27.37 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.375 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 46.5 mmtm 73.21 -35.7 0.33 Allowed 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.001 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 mppt? -106.35 -111.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.028 -0.42 . . . . 0.0 110.133 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 65.9 m -150.5 150.12 30.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.668 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 41.3 mtpt -124.52 139.39 53.92 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.662 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 72.8 m . . . . . 0 C--N 1.311 -1.079 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.892 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.489 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 26.3 mmt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.84 148.51 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.221 -175.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.583 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 3.2 mpp? -74.92 48.74 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.375 0.67 . . . . 0.0 111.175 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -108.94 41.16 1.66 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.943 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.3 t 69.7 29.07 4.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.269 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -152.58 15.02 0.58 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.048 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.602 ' HB3' ' HG3' ' A' ' 11' ' ' GLU . . . -70.13 -1.33 9.73 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.7 p 67.2 -16.55 0.15 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.955 1.302 . . . . 0.0 113.409 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 19.0 m -133.47 24.16 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.465 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -82.26 -39.9 22.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.701 -175.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.574 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 74.9 m -76.18 2.5 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 29.9 mmtp -115.32 -38.35 3.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.356 174.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 6.2 mm100 -89.27 -45.61 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.01 -23.07 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.189 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 9.5 t -81.88 -27.84 33.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.798 0.809 . . . . 0.0 109.432 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -74.19 -37.27 63.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.569 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -74.87 -24.98 58.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.175 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.1 -74.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.775 HG12 ' SG ' ' A' ' 34' ' ' CYS . 20.3 pt -115.59 -21.59 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.54 47.15 0.93 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.443 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.756 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 13.9 t -131.33 147.0 52.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.642 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 39.1 pt -102.13 23.72 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.706 0.765 . . . . 0.0 110.037 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -121.65 51.82 1.29 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.113 0.959 . . . . 0.0 109.742 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.67 154.43 52.3 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 113.932 -1.486 . . . . 0.0 114.073 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mmtm -108.88 128.48 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.433 0.693 . . . . 0.0 109.864 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.31 99.96 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 123.203 0.314 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.4 mmt -153.2 137.25 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 63.36 34.41 13.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 72.45 -11.15 0.85 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.853 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.66 -156.38 0.61 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 92.8 m -136.15 121.52 19.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 121.045 0.45 . . . . 0.0 111.19 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -94.85 161.0 14.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.764 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.775 ' SG ' HG12 ' A' ' 20' ' ' ILE . 58.2 m . . . . . 0 C--N 1.31 -1.111 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.627 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.62 ' CB ' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mpt? . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.57 149.21 46.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 110.826 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 26.1 ptt? -61.14 -10.35 6.23 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.027 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 77.7 mtp180 -71.63 66.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 t 54.33 38.25 29.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.822 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.517 ' C ' ' HB3' ' A' ' 2' ' ' MET . 36.0 t -135.09 -26.33 1.31 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.307 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -58.23 -4.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t 75.38 -24.01 0.23 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.394 0.678 . . . . 0.0 111.804 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.26 10.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.299 0.571 . . . . 0.0 110.306 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -74.31 -38.72 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.946 -175.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 80.2 m -78.78 20.37 0.46 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 41.9 mmtm -137.5 -60.67 0.65 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.662 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.08 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.324 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 73.4 mmtt -70.63 -40.03 73.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.882 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 22.1 p -79.23 -14.45 59.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 121.119 0.485 . . . . 0.0 110.353 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -74.15 -41.09 62.07 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.76 -25.08 61.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.248 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -66.52 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.174 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' CYS . 38.9 pt -132.65 6.96 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.69 43.82 14.02 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.377 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -130.55 169.38 15.66 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.466 HG13 ' CE2' ' A' ' 24' ' ' PHE . 21.9 pt -136.3 41.85 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.355 0.597 . . . . 0.0 111.383 -175.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.466 ' CE2' HG13 ' A' ' 23' ' ' ILE . 41.6 m-85 -141.87 46.05 1.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -176.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -59.27 136.38 50.94 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.237 -1.347 . . . . 0.0 115.165 -168.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.4 mmmt -103.89 136.77 42.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.457 -0.872 . . . . 0.0 108.838 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.28 98.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.106 0.479 . . . . 0.0 111.374 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 10.5 mmt -158.5 154.38 26.64 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.061 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 18.4 m120 57.8 36.59 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.464 . . . . 0.0 109.895 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 62.3 mttp 75.94 -32.77 0.21 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.768 -1.106 . . . . 0.0 112.223 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -111.69 -103.8 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.256 -0.577 . . . . 0.0 109.805 178.537 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 86.6 m -147.41 132.27 18.05 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.583 0.706 . . . . 0.0 112.032 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 28' ' ' MET . 10.1 ttpp -119.53 129.79 54.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.708 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.608 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 41.2 mmm . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -76.59 146.67 38.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 67.1 mtm -78.56 60.07 2.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.569 0.7 . . . . 0.0 109.655 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -124.31 53.09 1.45 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.09 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t 55.46 49.52 16.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 2' ' ' MET . 35.7 t -158.35 -16.7 0.07 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.536 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -67.8 -7.55 28.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.476 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t 76.03 6.54 3.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.02 -9.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.9 mp0 -66.44 -33.92 76.78 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.803 -0.561 . . . . 0.0 110.605 -174.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.9 m -80.09 11.98 3.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.445 . . . . 0.0 111.063 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 30.2 mmtp -126.58 -47.14 1.57 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.09 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -82.3 -43.22 17.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.383 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 4.7 tmtp? -65.03 -42.46 94.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.276 0.56 . . . . 0.0 109.721 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 9.5 t -63.18 -28.67 70.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.153 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.2 tt -74.31 -32.06 62.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.637 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.63 -37.19 70.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.028 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.756 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 pt -130.28 -10.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.47 43.9 3.08 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.756 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.576 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -127.98 148.12 50.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.245 . . . . 0.0 110.855 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' LYS . 42.5 pt -104.25 32.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.73 0.776 . . . . 0.0 110.497 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.53 46.94 2.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.825 0.822 . . . . 0.0 110.164 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 156.18 52.26 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.294 -1.321 . . . . 0.0 114.321 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.7 mmtp -115.54 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.017 0.927 . . . . 0.0 110.113 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.17 105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.123 0.487 . . . . 0.0 111.891 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.499 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 23.7 mmt -139.55 124.77 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.28 63.09 1.47 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.75 0.656 . . . . 0.0 112.574 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 97.7 mttt 77.18 -29.45 0.17 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.653 173.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -115.05 -157.54 0.64 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m -138.99 134.06 32.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.115 0.483 . . . . 0.0 112.208 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 28' ' ' MET . 31.2 mtpt -107.81 159.73 16.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.435 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.756 ' SG ' HG12 ' A' ' 20' ' ' ILE . 22.4 m . . . . . 0 C--N 1.309 -1.161 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.344 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.587 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 20.9 mmt . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.83 142.53 38.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -73.78 45.92 0.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.663 0.744 . . . . 0.0 111.794 -177.011 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -101.1 34.46 2.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.42 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 37.8 t 75.35 29.89 0.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.578 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -158.6 19.55 0.22 Allowed 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.029 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -74.16 -6.72 49.42 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.172 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 68.97 12.59 8.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.904 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 14' ' ' GLN . 8.8 p -138.77 -16.19 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.437 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 8' ' ' ALA . 4.6 mp0 -66.63 -34.94 78.99 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.686 -0.634 . . . . 0.0 110.256 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.2 m -75.36 11.45 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.718 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 23' ' ' ILE . 9.0 mmmm -127.43 -51.41 1.39 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.967 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG2' HG22 ' A' ' 10' ' ' VAL . 82.8 mm-40 -88.11 -41.06 13.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HG3' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -66.3 -34.45 78.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.445 -179.408 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 8.8 t -72.57 -27.14 62.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.549 0.69 . . . . 0.0 109.766 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -73.8 -38.85 64.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.02 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.29 -32.91 74.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -76.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.557 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.603 HG12 ' SG ' ' A' ' 34' ' ' CYS . 30.9 pt -114.15 -19.92 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 111.146 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.08 1.57 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.51 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.711 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 14.6 t -124.43 142.46 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 41.5 pt -101.7 25.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.612 0.72 . . . . 0.0 110.1 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -126.61 49.71 2.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.849 0.833 . . . . 0.0 109.326 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.98 161.13 49.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.786 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.5 mmtp -122.77 128.77 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.316 0.246 . . . . 0.0 110.414 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.55 106.59 0.11 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.282 0.633 . . . . 0.0 112.428 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.2 mmt -148.38 133.07 17.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 43.24 54.37 5.08 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 113.359 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 67.2 mttm 73.82 -4.13 2.33 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.817 174.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 4.0 mppt? -131.8 -150.17 0.41 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 173.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.455 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 m -135.03 124.86 25.46 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.472 0.653 . . . . 0.0 111.476 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -111.15 144.45 40.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.021 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HG12 ' A' ' 20' ' ' ILE . 3.4 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.464 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.566 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 80.5 mmm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.53 145.87 54.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.495 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.74 53.08 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.064 0.935 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -109.74 37.03 2.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.162 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 32.9 t 66.82 36.73 4.39 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 122.252 1.025 . . . . 0.0 109.08 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 2' ' ' MET . 16.5 m -157.48 17.26 0.27 Allowed 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.101 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -70.94 -17.0 62.7 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.385 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t 72.09 14.0 5.75 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 124.046 0.841 . . . . 0.0 110.419 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 14' ' ' GLN . 9.9 p -148.09 -9.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 mp0 -67.05 -37.18 83.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.636 -0.665 . . . . 0.0 110.32 -174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 23.3 m -77.78 12.5 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.705 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 31.1 mmtp -126.78 -50.14 1.48 Allowed 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.235 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' HG2' HG22 ' A' ' 10' ' ' VAL . 29.6 mm-40 -82.98 -42.22 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 31' ' ' LYS . 14.8 tptp -64.49 -38.4 90.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 5.4 t -59.34 -34.95 72.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.227 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD23 ' HA2' ' A' ' 21' ' ' GLY . 0.8 OUTLIER -78.23 -38.87 41.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.196 -176.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.1 -23.63 62.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.996 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.33 -74.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 pt -128.32 13.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.932 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . 74.09 42.5 36.24 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.346 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.617 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -124.41 167.2 14.71 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.288 0.235 . . . . 0.0 110.457 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.413 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 42.0 pt -128.12 35.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.52 0.676 . . . . 0.0 110.406 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.93 51.17 2.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.904 0.859 . . . . 0.0 109.385 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.651 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -68.93 155.79 53.54 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.119 -1.4 . . . . 0.0 114.516 -173.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 31.8 mmmt -107.12 118.66 37.3 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.168 0.587 . . . . 0.0 110.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.02 101.16 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.901 0.48 . . . . 0.0 112.006 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 83.1 mmm -155.25 129.4 8.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 64.59 42.59 4.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.535 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' MET . 61.7 mttp 73.53 -10.37 1.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.193 0.597 . . . . 0.0 112.1 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 3.9 mppt? -125.81 -152.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 95.6 m -138.26 129.6 27.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -100.19 158.01 16.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.098 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 66.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.993 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.583 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 4.9 mpp? . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 121.714 0.768 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.35 -0.64 17.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.555 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 23.5 ptp 46.93 25.74 0.5 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.445 1.498 . . . . 0.0 112.994 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 46.3 mtp180 -137.01 64.51 1.53 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 50.36 41.67 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.88 0.847 . . . . 0.0 110.306 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 t -164.56 10.65 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.956 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 2' ' ' MET . . . -82.56 -78.42 0.21 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.635 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -174.63 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.315 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.62 14.54 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -166.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.3 mp0 -70.26 -32.8 70.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.989 -0.444 . . . . 0.0 111.664 -172.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 32' ' ' CYS . 57.8 m -83.89 10.42 9.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.369 0.604 . . . . 0.0 110.391 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HD2' ' HB ' ' A' ' 23' ' ' ILE . 72.6 mmtt -122.04 -54.89 1.9 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.101 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -70.6 -39.45 73.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.212 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 2.2 mmmm -67.59 -30.39 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.649 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 10.8 t -76.61 -31.11 57.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.427 0.632 . . . . 0.0 109.97 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.453 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.55 -25.59 45.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.614 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.21 -62.8 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.647 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.541 HG12 ' SG ' ' A' ' 34' ' ' CYS . 24.6 pt -140.42 19.02 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.14 48.86 61.58 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.923 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 53.6 m -130.6 160.03 35.41 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 43.7 pt -120.21 41.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.56 0.695 . . . . 0.0 110.259 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -139.01 52.0 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.915 0.864 . . . . 0.0 110.168 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.23 156.4 51.33 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.864 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 46.1 mmtm -122.86 131.27 53.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 28' ' ' MET . 64.2 m -43.88 108.91 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.808 0.843 . . . . 0.0 112.806 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -156.47 132.88 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.652 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 89.5 m-20 56.87 53.16 8.45 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.373 0.42 . . . . 0.0 111.245 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 30.5 mtmm 74.33 -36.49 0.33 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.171 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 4' ' ' MET . 3.2 mptp? -105.43 -125.77 0.23 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 84.6 m -150.59 154.55 37.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.016 -176.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -139.52 152.25 46.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.561 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.541 ' SG ' HG12 ' A' ' 20' ' ' ILE . 1.5 p . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.542 173.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.569 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 25.4 mmt . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.35 143.94 56.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.963 0.411 . . . . 0.0 110.966 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.493 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -75.58 52.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.783 0.801 . . . . 0.0 110.433 179.071 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -110.73 43.0 1.49 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.644 173.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 t 58.61 24.47 12.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.074 -172.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -127.55 11.28 6.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.995 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -72.99 -9.04 58.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.313 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t 75.56 -10.76 1.2 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.479 0.712 . . . . 0.0 112.084 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.49 -14.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 18.8 mm-40 -72.44 -29.08 63.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -170.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -73.14 -25.29 60.77 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.625 -0.83 . . . . 0.0 110.045 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 36.5 mmtm -82.44 -47.19 12.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.614 176.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -71.74 -45.69 60.92 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.141 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 4.1 tmtp? -58.31 -44.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 4.4 t -66.26 -32.72 74.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.814 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -25.79 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -89.13 -26.46 21.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.395 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -75.62 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.644 HG12 ' SG ' ' A' ' 34' ' ' CYS . 36.0 pt -116.39 -11.33 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 111.041 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.56 45.51 2.5 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.632 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.725 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.6 t -131.75 169.73 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.59 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 46.6 pt -120.79 29.48 2.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.523 0.678 . . . . 0.0 110.376 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 37.7 m-85 -126.26 53.86 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.817 0.818 . . . . 0.0 109.944 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.7 143.45 35.26 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 114.568 -1.196 . . . . 0.0 113.352 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -109.97 132.13 54.44 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.7 m -44.23 111.29 0.28 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.358 0.663 . . . . 0.0 112.54 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.0 121.99 5.49 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.526 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 60.06 53.3 4.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.513 0.508 . . . . 0.0 110.741 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' MET . 26.6 mtpp 70.34 -33.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.284 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -103.34 -127.09 0.22 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 176.034 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.4 m -147.76 163.93 35.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.36 0.6 . . . . 0.0 111.835 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -139.92 139.21 36.12 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.728 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.644 ' SG ' HG12 ' A' ' 20' ' ' ILE . 23.3 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.574 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 73.3 mtp . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.254 0.55 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 4' ' ' MET . 29.6 t70 -114.58 5.16 15.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.19 -175.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.65 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 46.32 26.8 0.51 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.779 1.232 . . . . 0.0 113.174 -175.418 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 3' ' ' ASP . 49.2 mtp180 -129.34 61.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 t 72.48 23.13 3.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.813 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -165.96 12.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.888 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' ' H ' ' A' ' 4' ' ' MET . . . -75.46 -1.4 23.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -174.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m 70.67 20.02 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.278 0.361 . . . . 0.0 111.437 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.98 -29.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 mp0 -62.97 -32.22 73.51 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.962 0.411 . . . . 0.0 110.326 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 63.3 m -69.9 -0.97 8.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -113.8 -52.72 2.73 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.189 0.518 . . . . 0.0 109.777 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -72.46 -35.81 68.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.642 -172.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.68 -47.51 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 109.625 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 36.3 m -63.12 -29.53 70.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.892 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -35.53 81.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.76 -32.06 46.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.241 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.23 -73.01 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.71 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.9 -13.55 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.38 . . . . 0.0 111.747 -175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.93 55.18 1.32 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.544 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -139.0 163.66 31.8 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 pt -128.69 33.08 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.907 0.86 . . . . 0.0 109.962 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -131.5 52.01 2.1 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.085 0.945 . . . . 0.0 108.962 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -74.48 155.47 48.67 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 113.657 -1.611 . . . . 0.0 115.153 -172.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.08 128.05 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.58 -0.81 . . . . 0.0 109.546 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 t -46.7 112.18 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.523 0.515 . . . . 0.0 111.272 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.6 mmm -162.23 131.24 4.3 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -173.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 73.0 m-20 57.94 59.63 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.846 172.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 31' ' ' LYS . 27.9 mtpp 74.08 -27.27 0.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.174 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 1.3 mptm? -125.22 -114.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 92.3 m -147.1 164.82 31.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.88 0.372 . . . . 0.0 110.607 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -150.0 141.17 23.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.05 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.534 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 77.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.734 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.716 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 2.3 mpt? 60.38 83.62 0.14 Allowed 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.327 0.584 . . . . 0.0 109.987 -176.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -127.49 33.86 4.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.685 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 40.49 39.69 0.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.237 1.015 . . . . 0.0 113.379 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 5' ' ' ARG . 10.3 ptp180 -125.63 41.79 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.927 0.394 . . . . 0.0 111.916 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 11.9 t 61.9 27.33 16.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.797 0.808 . . . . 0.0 110.379 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -164.14 25.94 0.07 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.618 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.716 ' O ' ' HG3' ' A' ' 2' ' ' MET . . . -79.34 -2.31 40.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.464 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m 65.69 34.68 7.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.603 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -169.63 -25.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -61.95 -20.97 64.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.859 0.361 . . . . 0.0 111.051 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 55.7 m -75.64 15.52 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 111.365 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 27.5 mmtp -126.4 -62.61 1.14 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.008 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.01 -48.72 75.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.072 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 5.7 tmtt? -57.75 -41.99 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.245 0.545 . . . . 0.0 110.287 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 3.7 t -69.67 -31.65 69.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.2 -31.85 66.26 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.932 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -79.83 -28.27 40.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.27 -71.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.603 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.697 HG12 ' SG ' ' A' ' 34' ' ' CYS . 37.0 pt -121.82 -6.01 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.732 0.301 . . . . 0.0 111.466 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.81 49.18 2.98 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.834 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.687 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 22.6 t -132.3 159.11 40.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 45.0 pt -116.07 31.01 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.628 0.727 . . . . 0.0 109.976 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -131.35 50.36 2.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.736 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.55 158.85 53.68 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.399 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.4 mmtp -119.11 128.77 54.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.513 0.325 . . . . 0.0 110.34 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 t -43.22 101.74 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.077 0.951 . . . . 0.0 112.542 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -160.39 145.47 14.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.854 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 59.37 42.58 17.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.776 0.43 . . . . 0.0 111.699 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 73.8 mmtt 67.7 1.24 2.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.775 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' HG3' ' A' ' 15' ' ' LYS . 34.4 mmtp -138.06 -121.48 0.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 m -147.04 153.54 40.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.78 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -123.13 164.02 19.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.243 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.697 ' SG ' HG12 ' A' ' 20' ' ' ILE . 10.0 m . . . . . 0 C--O 1.25 1.081 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.62 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 93.4 mmm -99.79 155.42 17.66 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.32 133.94 49.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.209 0.318 . . . . 0.0 110.382 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.755 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 mtm -62.47 -5.1 2.26 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.445 -174.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 45.0 mtm180 -73.93 63.63 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.6 t 72.0 -32.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.983 0.913 . . . . 0.0 112.588 172.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' ARG . 20.4 t -92.88 25.17 3.28 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.892 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB2' ' HA ' ' A' ' 4' ' ' MET . . . -80.86 1.11 32.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.256 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m 60.27 27.43 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.297 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -173.98 -36.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 12.2 mm-40 -65.24 -36.46 84.19 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -72.55 -6.45 44.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 110.143 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 32.6 mmtp -98.5 -58.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.42 -34.48 72.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.201 -172.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' HG2' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -65.24 -32.98 74.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.541 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.751 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 3.6 m -88.07 -15.65 35.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.196 0.522 . . . . 0.0 110.878 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.39 -37.94 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -72.12 -33.54 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.775 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.96 -61.95 2.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.262 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 pt -133.55 -31.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.853 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.13 8.99 4.34 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.232 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -102.14 134.41 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 36.9 pt -87.36 -4.46 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.536 0.684 . . . . 0.0 110.345 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.79 60.02 2.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.666 0.746 . . . . 0.0 109.628 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.751 ' HA2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.44 155.26 36.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.473 -1.239 . . . . 0.0 115.607 -173.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 14.0 mmmm -99.46 105.02 16.91 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 114.843 -0.679 . . . . 0.0 110.286 174.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 77.0 m -44.95 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.818 0.699 . . . . 0.0 112.43 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 mmt -163.19 149.26 11.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.244 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.38 44.34 27.37 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.375 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 46.5 mmtm 73.21 -35.7 0.33 Allowed 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.001 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 mppt? -106.35 -111.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.028 -0.42 . . . . 0.0 110.133 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 65.9 m -150.5 150.12 30.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.668 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 41.3 mtpt -124.52 139.39 53.92 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.662 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 72.8 m . . . . . 0 C--N 1.311 -1.079 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.892 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.489 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 26.3 mmt -127.01 166.76 16.96 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.84 148.51 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.221 -175.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.583 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 3.2 mpp? -74.92 48.74 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.375 0.67 . . . . 0.0 111.175 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -108.94 41.16 1.66 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.943 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.3 t 69.7 29.07 4.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.269 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -152.58 15.02 0.58 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.048 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.602 ' HB3' ' HG3' ' A' ' 11' ' ' GLU . . . -70.13 -1.33 9.73 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.7 p 67.2 -16.55 0.15 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.955 1.302 . . . . 0.0 113.409 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 19.0 m -133.47 24.16 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.465 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -82.26 -39.9 22.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.701 -175.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.574 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 74.9 m -76.18 2.5 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 29.9 mmtp -115.32 -38.35 3.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.356 174.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 6.2 mm100 -89.27 -45.61 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.01 -23.07 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.189 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 9.5 t -81.88 -27.84 33.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.798 0.809 . . . . 0.0 109.432 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -74.19 -37.27 63.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.569 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -74.87 -24.98 58.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.175 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.1 -74.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.775 HG12 ' SG ' ' A' ' 34' ' ' CYS . 20.3 pt -115.59 -21.59 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.54 47.15 0.93 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.443 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.756 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 13.9 t -131.33 147.0 52.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.642 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 39.1 pt -102.13 23.72 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.706 0.765 . . . . 0.0 110.037 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -121.65 51.82 1.29 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.113 0.959 . . . . 0.0 109.742 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.67 154.43 52.3 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 113.932 -1.486 . . . . 0.0 114.073 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mmtm -108.88 128.48 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.433 0.693 . . . . 0.0 109.864 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.31 99.96 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 123.203 0.314 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.4 mmt -153.2 137.25 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 63.36 34.41 13.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 72.45 -11.15 0.85 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.853 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.66 -156.38 0.61 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 92.8 m -136.15 121.52 19.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 121.045 0.45 . . . . 0.0 111.19 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -94.85 161.0 14.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.764 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.775 ' SG ' HG12 ' A' ' 20' ' ' ILE . 58.2 m . . . . . 0 C--N 1.31 -1.111 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.627 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.621 ' HG2' ' SD ' ' A' ' 2' ' ' MET . 4.0 pm0 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.521 0.201 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.621 ' SD ' ' HG2' ' A' ' 1' ' ' GLN . 1.5 mpt? -89.16 120.86 30.92 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.57 149.21 46.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 110.826 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 26.1 ptt? -61.14 -10.35 6.23 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.027 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 77.7 mtp180 -71.63 66.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 t 54.33 38.25 29.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.822 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.517 ' C ' ' HB3' ' A' ' 2' ' ' MET . 36.0 t -135.09 -26.33 1.31 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.307 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -58.23 -4.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t 75.38 -24.01 0.23 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.394 0.678 . . . . 0.0 111.804 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.26 10.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.299 0.571 . . . . 0.0 110.306 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -74.31 -38.72 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.946 -175.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 80.2 m -78.78 20.37 0.46 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 41.9 mmtm -137.5 -60.67 0.65 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.662 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.08 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.324 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 73.4 mmtt -70.63 -40.03 73.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.882 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 22.1 p -79.23 -14.45 59.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 121.119 0.485 . . . . 0.0 110.353 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -74.15 -41.09 62.07 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.76 -25.08 61.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.248 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -66.52 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.174 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' CYS . 38.9 pt -132.65 6.96 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.69 43.82 14.02 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.377 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -130.55 169.38 15.66 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.466 HG13 ' CE2' ' A' ' 24' ' ' PHE . 21.9 pt -136.3 41.85 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.355 0.597 . . . . 0.0 111.383 -175.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.466 ' CE2' HG13 ' A' ' 23' ' ' ILE . 41.6 m-85 -141.87 46.05 1.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -176.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -59.27 136.38 50.94 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.237 -1.347 . . . . 0.0 115.165 -168.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.4 mmmt -103.89 136.77 42.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.457 -0.872 . . . . 0.0 108.838 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.28 98.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.106 0.479 . . . . 0.0 111.374 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 10.5 mmt -158.5 154.38 26.64 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.061 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 18.4 m120 57.8 36.59 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.464 . . . . 0.0 109.895 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 62.3 mttp 75.94 -32.77 0.21 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.768 -1.106 . . . . 0.0 112.223 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -111.69 -103.8 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.256 -0.577 . . . . 0.0 109.805 178.537 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 86.6 m -147.41 132.27 18.05 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.583 0.706 . . . . 0.0 112.032 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 28' ' ' MET . 10.1 ttpp -119.53 129.79 54.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.708 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.858 0.361 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.608 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 41.2 mmm -85.14 167.18 15.98 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 172.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -76.59 146.67 38.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 67.1 mtm -78.56 60.07 2.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.569 0.7 . . . . 0.0 109.655 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -124.31 53.09 1.45 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.09 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t 55.46 49.52 16.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 2' ' ' MET . 35.7 t -158.35 -16.7 0.07 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.536 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -67.8 -7.55 28.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.476 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t 76.03 6.54 3.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.02 -9.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.9 mp0 -66.44 -33.92 76.78 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.803 -0.561 . . . . 0.0 110.605 -174.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.9 m -80.09 11.98 3.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.445 . . . . 0.0 111.063 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 30.2 mmtp -126.58 -47.14 1.57 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.09 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -82.3 -43.22 17.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.383 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 4.7 tmtp? -65.03 -42.46 94.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.276 0.56 . . . . 0.0 109.721 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 9.5 t -63.18 -28.67 70.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.153 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.2 tt -74.31 -32.06 62.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.637 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.63 -37.19 70.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.028 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.756 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 pt -130.28 -10.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.47 43.9 3.08 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.756 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.576 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -127.98 148.12 50.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.245 . . . . 0.0 110.855 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' LYS . 42.5 pt -104.25 32.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.73 0.776 . . . . 0.0 110.497 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.53 46.94 2.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.825 0.822 . . . . 0.0 110.164 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 156.18 52.26 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.294 -1.321 . . . . 0.0 114.321 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.7 mmtp -115.54 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.017 0.927 . . . . 0.0 110.113 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.17 105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.123 0.487 . . . . 0.0 111.891 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.499 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 23.7 mmt -139.55 124.77 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.28 63.09 1.47 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.75 0.656 . . . . 0.0 112.574 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 97.7 mttt 77.18 -29.45 0.17 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.653 173.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -115.05 -157.54 0.64 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m -138.99 134.06 32.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.115 0.483 . . . . 0.0 112.208 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 28' ' ' MET . 31.2 mtpt -107.81 159.73 16.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.435 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.756 ' SG ' HG12 ' A' ' 20' ' ' ILE . 22.4 m . . . . . 0 C--N 1.309 -1.161 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.344 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.587 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 20.9 mmt -81.74 164.09 21.98 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.537 177.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.83 142.53 38.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -73.78 45.92 0.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.663 0.744 . . . . 0.0 111.794 -177.011 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -101.1 34.46 2.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.42 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 37.8 t 75.35 29.89 0.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.578 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -158.6 19.55 0.22 Allowed 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.029 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -74.16 -6.72 49.42 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.172 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 68.97 12.59 8.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.904 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 14' ' ' GLN . 8.8 p -138.77 -16.19 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.437 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 8' ' ' ALA . 4.6 mp0 -66.63 -34.94 78.99 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.686 -0.634 . . . . 0.0 110.256 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.2 m -75.36 11.45 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.718 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 23' ' ' ILE . 9.0 mmmm -127.43 -51.41 1.39 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.967 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG2' HG22 ' A' ' 10' ' ' VAL . 82.8 mm-40 -88.11 -41.06 13.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HG3' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -66.3 -34.45 78.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.445 -179.408 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 8.8 t -72.57 -27.14 62.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.549 0.69 . . . . 0.0 109.766 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -73.8 -38.85 64.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.02 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.29 -32.91 74.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -76.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.557 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.603 HG12 ' SG ' ' A' ' 34' ' ' CYS . 30.9 pt -114.15 -19.92 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 111.146 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.08 1.57 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.51 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.711 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 14.6 t -124.43 142.46 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 41.5 pt -101.7 25.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.612 0.72 . . . . 0.0 110.1 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -126.61 49.71 2.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.849 0.833 . . . . 0.0 109.326 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.98 161.13 49.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.786 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.5 mmtp -122.77 128.77 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.316 0.246 . . . . 0.0 110.414 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.55 106.59 0.11 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.282 0.633 . . . . 0.0 112.428 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.2 mmt -148.38 133.07 17.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 43.24 54.37 5.08 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 113.359 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 67.2 mttm 73.82 -4.13 2.33 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.817 174.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 4.0 mppt? -131.8 -150.17 0.41 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 173.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.455 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 m -135.03 124.86 25.46 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.472 0.653 . . . . 0.0 111.476 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -111.15 144.45 40.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.021 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HG12 ' A' ' 20' ' ' ILE . 3.4 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.464 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.566 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 80.5 mmm -104.66 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.53 145.87 54.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.495 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.74 53.08 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.064 0.935 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -109.74 37.03 2.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.162 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 32.9 t 66.82 36.73 4.39 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 122.252 1.025 . . . . 0.0 109.08 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 2' ' ' MET . 16.5 m -157.48 17.26 0.27 Allowed 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.101 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -70.94 -17.0 62.7 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.385 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t 72.09 14.0 5.75 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 124.046 0.841 . . . . 0.0 110.419 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 14' ' ' GLN . 9.9 p -148.09 -9.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 mp0 -67.05 -37.18 83.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.636 -0.665 . . . . 0.0 110.32 -174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 23.3 m -77.78 12.5 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.705 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 31.1 mmtp -126.78 -50.14 1.48 Allowed 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.235 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' HG2' HG22 ' A' ' 10' ' ' VAL . 29.6 mm-40 -82.98 -42.22 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 31' ' ' LYS . 14.8 tptp -64.49 -38.4 90.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 5.4 t -59.34 -34.95 72.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.227 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD23 ' HA2' ' A' ' 21' ' ' GLY . 0.8 OUTLIER -78.23 -38.87 41.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.196 -176.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.1 -23.63 62.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.996 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.33 -74.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 pt -128.32 13.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.932 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . 74.09 42.5 36.24 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.346 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.617 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -124.41 167.2 14.71 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.288 0.235 . . . . 0.0 110.457 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 42.0 pt -128.12 35.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.52 0.676 . . . . 0.0 110.406 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.93 51.17 2.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.904 0.859 . . . . 0.0 109.385 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.651 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -68.93 155.79 53.54 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.119 -1.4 . . . . 0.0 114.516 -173.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 31.8 mmmt -107.12 118.66 37.3 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.168 0.587 . . . . 0.0 110.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.02 101.16 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.901 0.48 . . . . 0.0 112.006 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 83.1 mmm -155.25 129.4 8.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 64.59 42.59 4.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.535 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' MET . 61.7 mttp 73.53 -10.37 1.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.193 0.597 . . . . 0.0 112.1 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 3.9 mppt? -125.81 -152.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 95.6 m -138.26 129.6 27.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -100.19 158.01 16.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.098 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 66.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.993 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.589 0.233 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.583 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 4.9 mpp? 67.56 99.64 0.05 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.743 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.35 -0.64 17.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.555 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 23.5 ptp 46.93 25.74 0.5 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.445 1.498 . . . . 0.0 112.994 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 46.3 mtp180 -137.01 64.51 1.53 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 50.36 41.67 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.88 0.847 . . . . 0.0 110.306 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 t -164.56 10.65 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.956 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 2' ' ' MET . . . -82.56 -78.42 0.21 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.635 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -174.63 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.315 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.62 14.54 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -166.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.3 mp0 -70.26 -32.8 70.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.989 -0.444 . . . . 0.0 111.664 -172.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 32' ' ' CYS . 57.8 m -83.89 10.42 9.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.369 0.604 . . . . 0.0 110.391 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HD2' ' HB ' ' A' ' 23' ' ' ILE . 72.6 mmtt -122.04 -54.89 1.9 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.101 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -70.6 -39.45 73.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.212 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 2.2 mmmm -67.59 -30.39 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.649 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 10.8 t -76.61 -31.11 57.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.427 0.632 . . . . 0.0 109.97 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.453 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.55 -25.59 45.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.614 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.21 -62.8 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.647 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.541 HG12 ' SG ' ' A' ' 34' ' ' CYS . 24.6 pt -140.42 19.02 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.14 48.86 61.58 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.923 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 53.6 m -130.6 160.03 35.41 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 43.7 pt -120.21 41.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.56 0.695 . . . . 0.0 110.259 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -139.01 52.0 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.915 0.864 . . . . 0.0 110.168 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.23 156.4 51.33 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.864 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 46.1 mmtm -122.86 131.27 53.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 28' ' ' MET . 64.2 m -43.88 108.91 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.808 0.843 . . . . 0.0 112.806 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -156.47 132.88 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.652 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 89.5 m-20 56.87 53.16 8.45 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.373 0.42 . . . . 0.0 111.245 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 30.5 mtmm 74.33 -36.49 0.33 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.171 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 4' ' ' MET . 3.2 mptp? -105.43 -125.77 0.23 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 84.6 m -150.59 154.55 37.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.016 -176.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -139.52 152.25 46.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.561 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.541 ' SG ' HG12 ' A' ' 20' ' ' ILE . 1.5 p . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.542 173.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.176 0.512 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.569 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 25.4 mmt -92.1 157.86 16.51 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 175.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.35 143.94 56.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.963 0.411 . . . . 0.0 110.966 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.493 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -75.58 52.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.783 0.801 . . . . 0.0 110.433 179.071 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -110.73 43.0 1.49 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.644 173.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 t 58.61 24.47 12.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.074 -172.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -127.55 11.28 6.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.995 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -72.99 -9.04 58.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.313 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t 75.56 -10.76 1.2 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.479 0.712 . . . . 0.0 112.084 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.49 -14.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 18.8 mm-40 -72.44 -29.08 63.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -170.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -73.14 -25.29 60.77 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.625 -0.83 . . . . 0.0 110.045 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 36.5 mmtm -82.44 -47.19 12.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.614 176.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -71.74 -45.69 60.92 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.141 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 4.1 tmtp? -58.31 -44.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 4.4 t -66.26 -32.72 74.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.814 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -25.79 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -89.13 -26.46 21.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.395 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -75.62 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.644 HG12 ' SG ' ' A' ' 34' ' ' CYS . 36.0 pt -116.39 -11.33 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 111.041 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.56 45.51 2.5 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.632 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.725 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.6 t -131.75 169.73 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.59 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 46.6 pt -120.79 29.48 2.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.523 0.678 . . . . 0.0 110.376 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 37.7 m-85 -126.26 53.86 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.817 0.818 . . . . 0.0 109.944 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.7 143.45 35.26 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 114.568 -1.196 . . . . 0.0 113.352 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -109.97 132.13 54.44 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.7 m -44.23 111.29 0.28 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.358 0.663 . . . . 0.0 112.54 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.0 121.99 5.49 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.526 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 60.06 53.3 4.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.513 0.508 . . . . 0.0 110.741 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' MET . 26.6 mtpp 70.34 -33.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.284 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -103.34 -127.09 0.22 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 176.034 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.4 m -147.76 163.93 35.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.36 0.6 . . . . 0.0 111.835 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -139.92 139.21 36.12 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.728 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.644 ' SG ' HG12 ' A' ' 20' ' ' ILE . 23.3 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.574 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 73.3 mtp 64.33 97.07 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.845 0.716 . . . . 0.0 111.453 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 4' ' ' MET . 29.6 t70 -114.58 5.16 15.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.19 -175.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.65 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 46.32 26.8 0.51 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.779 1.232 . . . . 0.0 113.174 -175.418 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 3' ' ' ASP . 49.2 mtp180 -129.34 61.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 t 72.48 23.13 3.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.813 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -165.96 12.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.888 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' ' H ' ' A' ' 4' ' ' MET . . . -75.46 -1.4 23.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -174.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m 70.67 20.02 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.278 0.361 . . . . 0.0 111.437 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.98 -29.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 mp0 -62.97 -32.22 73.51 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.962 0.411 . . . . 0.0 110.326 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 63.3 m -69.9 -0.97 8.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -113.8 -52.72 2.73 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.189 0.518 . . . . 0.0 109.777 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -72.46 -35.81 68.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.642 -172.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.68 -47.51 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 109.625 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 36.3 m -63.12 -29.53 70.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.892 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -35.53 81.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.76 -32.06 46.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.241 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.23 -73.01 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.71 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.9 -13.55 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.38 . . . . 0.0 111.747 -175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.93 55.18 1.32 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.544 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -139.0 163.66 31.8 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 pt -128.69 33.08 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.907 0.86 . . . . 0.0 109.962 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -131.5 52.01 2.1 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.085 0.945 . . . . 0.0 108.962 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -74.48 155.47 48.67 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 113.657 -1.611 . . . . 0.0 115.153 -172.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.08 128.05 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.58 -0.81 . . . . 0.0 109.546 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 t -46.7 112.18 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.523 0.515 . . . . 0.0 111.272 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.6 mmm -162.23 131.24 4.3 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -173.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 73.0 m-20 57.94 59.63 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.846 172.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 31' ' ' LYS . 27.9 mtpp 74.08 -27.27 0.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.174 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 1.3 mptm? -125.22 -114.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 92.3 m -147.1 164.82 31.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.88 0.372 . . . . 0.0 110.607 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -150.0 141.17 23.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.05 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.534 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 77.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.734 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.716 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 2.3 mpt? . . . . . 0 CA--C 1.522 -0.124 0 CA-C-O 121.327 0.584 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -127.49 33.86 4.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.685 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 40.49 39.69 0.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.237 1.015 . . . . 0.0 113.379 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 5' ' ' ARG . 10.3 ptp180 -125.63 41.79 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.927 0.394 . . . . 0.0 111.916 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 11.9 t 61.9 27.33 16.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.797 0.808 . . . . 0.0 110.379 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -164.14 25.94 0.07 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.618 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.716 ' O ' ' HG3' ' A' ' 2' ' ' MET . . . -79.34 -2.31 40.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.464 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m 65.69 34.68 7.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.603 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -169.63 -25.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -61.95 -20.97 64.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.859 0.361 . . . . 0.0 111.051 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 55.7 m -75.64 15.52 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 111.365 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 27.5 mmtp -126.4 -62.61 1.14 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.008 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.01 -48.72 75.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.072 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 5.7 tmtt? -57.75 -41.99 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.245 0.545 . . . . 0.0 110.287 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 3.7 t -69.67 -31.65 69.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.2 -31.85 66.26 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.932 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -79.83 -28.27 40.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.27 -71.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.603 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.697 HG12 ' SG ' ' A' ' 34' ' ' CYS . 37.0 pt -121.82 -6.01 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.732 0.301 . . . . 0.0 111.466 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.81 49.18 2.98 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.834 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.687 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 22.6 t -132.3 159.11 40.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 45.0 pt -116.07 31.01 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.628 0.727 . . . . 0.0 109.976 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -131.35 50.36 2.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.736 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.55 158.85 53.68 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.399 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.4 mmtp -119.11 128.77 54.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.513 0.325 . . . . 0.0 110.34 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 t -43.22 101.74 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.077 0.951 . . . . 0.0 112.542 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -160.39 145.47 14.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.854 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 59.37 42.58 17.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.776 0.43 . . . . 0.0 111.699 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 73.8 mmtt 67.7 1.24 2.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.775 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' HG3' ' A' ' 15' ' ' LYS . 34.4 mmtp -138.06 -121.48 0.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 m -147.04 153.54 40.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.78 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -123.13 164.02 19.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.243 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.697 ' SG ' HG12 ' A' ' 20' ' ' ILE . 10.0 m . . . . . 0 C--O 1.25 1.081 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.62 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 93.4 mmm . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.32 133.94 49.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.209 0.318 . . . . 0.0 110.382 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.755 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 mtm -62.47 -5.1 2.26 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.445 -174.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 45.0 mtm180 -73.93 63.63 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.6 t 72.0 -32.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.983 0.913 . . . . 0.0 112.588 172.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' ARG . 20.4 t -92.88 25.17 3.28 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.892 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB2' ' HA ' ' A' ' 4' ' ' MET . . . -80.86 1.11 32.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.256 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m 60.27 27.43 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.297 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -173.98 -36.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 12.2 mm-40 -65.24 -36.46 84.19 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -72.55 -6.45 44.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 110.143 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 32.6 mmtp -98.5 -58.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.42 -34.48 72.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.201 -172.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.509 ' HG2' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -65.24 -32.98 74.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.541 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.751 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 3.6 m -88.07 -15.65 35.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.196 0.522 . . . . 0.0 110.878 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.39 -37.94 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -72.12 -33.54 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.775 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.96 -61.95 2.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.262 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 pt -133.55 -31.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.853 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.13 8.99 4.34 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.232 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -102.14 134.41 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 36.9 pt -87.36 -4.46 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.536 0.684 . . . . 0.0 110.345 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.79 60.02 2.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.666 0.746 . . . . 0.0 109.628 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.751 ' HA2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.44 155.26 36.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.473 -1.239 . . . . 0.0 115.607 -173.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 14.0 mmmm -99.46 105.02 16.91 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 114.843 -0.679 . . . . 0.0 110.286 174.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 77.0 m -44.95 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.818 0.699 . . . . 0.0 112.43 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 mmt -163.19 149.26 11.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.244 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.38 44.34 27.37 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.375 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 46.5 mmtm 73.21 -35.7 0.33 Allowed 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.001 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 mppt? -106.35 -111.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.028 -0.42 . . . . 0.0 110.133 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 65.9 m -150.5 150.12 30.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.668 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 41.3 mtpt -124.52 139.39 53.92 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.662 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 72.8 m . . . . . 0 C--N 1.311 -1.079 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.892 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.489 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 26.3 mmt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.84 148.51 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.221 -175.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.583 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 3.2 mpp? -74.92 48.74 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.375 0.67 . . . . 0.0 111.175 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -108.94 41.16 1.66 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.943 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.3 t 69.7 29.07 4.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.269 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -152.58 15.02 0.58 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.048 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.602 ' HB3' ' HG3' ' A' ' 11' ' ' GLU . . . -70.13 -1.33 9.73 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.7 p 67.2 -16.55 0.15 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.955 1.302 . . . . 0.0 113.409 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 19.0 m -133.47 24.16 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.465 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -82.26 -39.9 22.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.701 -175.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.574 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 74.9 m -76.18 2.5 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 29.9 mmtp -115.32 -38.35 3.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.356 174.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 6.2 mm100 -89.27 -45.61 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.01 -23.07 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.189 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 9.5 t -81.88 -27.84 33.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.798 0.809 . . . . 0.0 109.432 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -74.19 -37.27 63.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.569 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -74.87 -24.98 58.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.175 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.1 -74.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.775 HG12 ' SG ' ' A' ' 34' ' ' CYS . 20.3 pt -115.59 -21.59 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.54 47.15 0.93 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.443 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.756 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 13.9 t -131.33 147.0 52.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.642 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 39.1 pt -102.13 23.72 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.706 0.765 . . . . 0.0 110.037 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -121.65 51.82 1.29 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.113 0.959 . . . . 0.0 109.742 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.67 154.43 52.3 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 113.932 -1.486 . . . . 0.0 114.073 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mmtm -108.88 128.48 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.433 0.693 . . . . 0.0 109.864 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.31 99.96 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 123.203 0.314 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.4 mmt -153.2 137.25 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 63.36 34.41 13.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 72.45 -11.15 0.85 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.853 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.66 -156.38 0.61 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 92.8 m -136.15 121.52 19.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 121.045 0.45 . . . . 0.0 111.19 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -94.85 161.0 14.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.764 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.775 ' SG ' HG12 ' A' ' 20' ' ' ILE . 58.2 m . . . . . 0 C--N 1.31 -1.111 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.627 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.62 ' CB ' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mpt? . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.57 149.21 46.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 110.826 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 26.1 ptt? -61.14 -10.35 6.23 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.027 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 77.7 mtp180 -71.63 66.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 t 54.33 38.25 29.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.822 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.517 ' C ' ' HB3' ' A' ' 2' ' ' MET . 36.0 t -135.09 -26.33 1.31 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.307 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -58.23 -4.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t 75.38 -24.01 0.23 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.394 0.678 . . . . 0.0 111.804 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.26 10.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.299 0.571 . . . . 0.0 110.306 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -74.31 -38.72 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.946 -175.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 80.2 m -78.78 20.37 0.46 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 41.9 mmtm -137.5 -60.67 0.65 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.662 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.08 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.324 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 73.4 mmtt -70.63 -40.03 73.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.882 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 22.1 p -79.23 -14.45 59.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 121.119 0.485 . . . . 0.0 110.353 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -74.15 -41.09 62.07 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.76 -25.08 61.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.248 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -66.52 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.174 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' CYS . 38.9 pt -132.65 6.96 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.69 43.82 14.02 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.377 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -130.55 169.38 15.66 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.466 HG13 ' CE2' ' A' ' 24' ' ' PHE . 21.9 pt -136.3 41.85 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.355 0.597 . . . . 0.0 111.383 -175.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.466 ' CE2' HG13 ' A' ' 23' ' ' ILE . 41.6 m-85 -141.87 46.05 1.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -176.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -59.27 136.38 50.94 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.237 -1.347 . . . . 0.0 115.165 -168.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.4 mmmt -103.89 136.77 42.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.457 -0.872 . . . . 0.0 108.838 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.28 98.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.106 0.479 . . . . 0.0 111.374 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 10.5 mmt -158.5 154.38 26.64 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.061 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 18.4 m120 57.8 36.59 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.464 . . . . 0.0 109.895 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 62.3 mttp 75.94 -32.77 0.21 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.768 -1.106 . . . . 0.0 112.223 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -111.69 -103.8 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.256 -0.577 . . . . 0.0 109.805 178.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 86.6 m -147.41 132.27 18.05 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.583 0.706 . . . . 0.0 112.032 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 28' ' ' MET . 10.1 ttpp -119.53 129.79 54.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.708 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.608 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 41.2 mmm . . . . . 0 CA--C 1.52 -0.178 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -76.59 146.67 38.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 67.1 mtm -78.56 60.07 2.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.569 0.7 . . . . 0.0 109.655 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -124.31 53.09 1.45 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.09 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t 55.46 49.52 16.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 2' ' ' MET . 35.7 t -158.35 -16.7 0.07 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.536 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -67.8 -7.55 28.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.476 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t 76.03 6.54 3.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.02 -9.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.9 mp0 -66.44 -33.92 76.78 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.803 -0.561 . . . . 0.0 110.605 -174.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.9 m -80.09 11.98 3.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.445 . . . . 0.0 111.063 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 30.2 mmtp -126.58 -47.14 1.57 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.09 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -82.3 -43.22 17.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.383 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 4.7 tmtp? -65.03 -42.46 94.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.276 0.56 . . . . 0.0 109.721 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 9.5 t -63.18 -28.67 70.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.153 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.2 tt -74.31 -32.06 62.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.637 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.63 -37.19 70.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.028 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.756 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 pt -130.28 -10.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.47 43.9 3.08 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.756 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.576 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -127.98 148.12 50.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.245 . . . . 0.0 110.855 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' LYS . 42.5 pt -104.25 32.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.73 0.776 . . . . 0.0 110.497 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.53 46.94 2.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.825 0.822 . . . . 0.0 110.164 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 156.18 52.26 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.294 -1.321 . . . . 0.0 114.321 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.7 mmtp -115.54 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.017 0.927 . . . . 0.0 110.113 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.17 105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.123 0.487 . . . . 0.0 111.891 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.499 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 23.7 mmt -139.55 124.77 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.28 63.09 1.47 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.75 0.656 . . . . 0.0 112.574 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 97.7 mttt 77.18 -29.45 0.17 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.653 173.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -115.05 -157.54 0.64 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m -138.99 134.06 32.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.115 0.483 . . . . 0.0 112.208 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 28' ' ' MET . 31.2 mtpt -107.81 159.73 16.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.435 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.756 ' SG ' HG12 ' A' ' 20' ' ' ILE . 22.4 m . . . . . 0 C--N 1.309 -1.161 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.344 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.587 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 20.9 mmt . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.83 142.53 38.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -73.78 45.92 0.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.663 0.744 . . . . 0.0 111.794 -177.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -101.1 34.46 2.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.42 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 37.8 t 75.35 29.89 0.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.578 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -158.6 19.55 0.22 Allowed 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.029 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -74.16 -6.72 49.42 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.172 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 68.97 12.59 8.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.904 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 14' ' ' GLN . 8.8 p -138.77 -16.19 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.437 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 8' ' ' ALA . 4.6 mp0 -66.63 -34.94 78.99 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.686 -0.634 . . . . 0.0 110.256 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.2 m -75.36 11.45 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.718 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 23' ' ' ILE . 9.0 mmmm -127.43 -51.41 1.39 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.967 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG2' HG22 ' A' ' 10' ' ' VAL . 14.2 mm100 -88.11 -41.06 13.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HG3' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -66.3 -34.45 78.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.445 -179.408 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 8.8 t -72.57 -27.14 62.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.549 0.69 . . . . 0.0 109.766 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -73.8 -38.85 64.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.02 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.29 -32.91 74.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -76.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.557 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.603 HG12 ' SG ' ' A' ' 34' ' ' CYS . 30.9 pt -114.15 -19.92 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 111.146 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.08 1.57 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.51 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.711 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 14.6 t -124.43 142.46 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 41.5 pt -101.7 25.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.612 0.72 . . . . 0.0 110.1 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -126.61 49.71 2.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.849 0.833 . . . . 0.0 109.326 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.98 161.13 49.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.786 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.5 mmtp -122.77 128.77 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.316 0.246 . . . . 0.0 110.414 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.55 106.59 0.11 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.282 0.633 . . . . 0.0 112.428 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.2 mmt -148.38 133.07 17.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 43.24 54.37 5.08 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 113.359 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 67.2 mttm 73.82 -4.13 2.33 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.817 174.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 4.0 mppt? -131.8 -150.17 0.41 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 173.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.455 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 m -135.03 124.86 25.46 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.472 0.653 . . . . 0.0 111.476 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -111.15 144.45 40.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.021 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HG12 ' A' ' 20' ' ' ILE . 3.4 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.464 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.566 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 80.5 mmm . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.53 145.87 54.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.495 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.74 53.08 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.064 0.935 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -109.74 37.03 2.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.162 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 32.9 t 66.82 36.73 4.39 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 122.252 1.025 . . . . 0.0 109.08 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 2' ' ' MET . 16.5 m -157.48 17.26 0.27 Allowed 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.101 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -70.94 -17.0 62.7 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.385 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t 72.09 14.0 5.75 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 124.046 0.841 . . . . 0.0 110.419 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 14' ' ' GLN . 9.9 p -148.09 -9.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 mp0 -67.05 -37.18 83.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.636 -0.665 . . . . 0.0 110.32 -174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 23.3 m -77.78 12.5 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.705 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 31.1 mmtp -126.78 -50.14 1.48 Allowed 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.235 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' HG2' HG22 ' A' ' 10' ' ' VAL . 29.6 mm-40 -82.98 -42.22 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 31' ' ' LYS . 14.8 tptp -64.49 -38.4 90.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 5.4 t -59.34 -34.95 72.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.227 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD23 ' HA2' ' A' ' 21' ' ' GLY . 0.8 OUTLIER -78.23 -38.87 41.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.196 -176.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.1 -23.63 62.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.996 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.33 -74.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 pt -128.32 13.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.932 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . 74.09 42.5 36.24 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.346 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.617 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -124.41 167.2 14.71 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.288 0.235 . . . . 0.0 110.457 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.413 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 42.0 pt -128.12 35.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.52 0.676 . . . . 0.0 110.406 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.93 51.17 2.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.904 0.859 . . . . 0.0 109.385 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.651 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -68.93 155.79 53.54 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.119 -1.4 . . . . 0.0 114.516 -173.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 31.8 mmmt -107.12 118.66 37.3 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.168 0.587 . . . . 0.0 110.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.02 101.16 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.901 0.48 . . . . 0.0 112.006 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 83.1 mmm -155.25 129.4 8.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.1 m120 64.59 42.59 4.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.535 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' MET . 61.7 mttp 73.53 -10.37 1.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.193 0.597 . . . . 0.0 112.1 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 3.9 mppt? -125.81 -152.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 95.6 m -138.26 129.6 27.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -100.19 158.01 16.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.098 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 66.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.993 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.583 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 4.9 mpp? . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 121.714 0.768 . . . . 0.0 111.743 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.35 -0.64 17.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.555 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 23.5 ptp 46.93 25.74 0.5 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.445 1.498 . . . . 0.0 112.994 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 46.3 mtp180 -137.01 64.51 1.53 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 50.36 41.67 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.88 0.847 . . . . 0.0 110.306 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 t -164.56 10.65 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.956 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 2' ' ' MET . . . -82.56 -78.42 0.21 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.635 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -174.63 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.315 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.62 14.54 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -166.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.3 mp0 -70.26 -32.8 70.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.989 -0.444 . . . . 0.0 111.664 -172.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 32' ' ' CYS . 57.8 m -83.89 10.42 9.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.369 0.604 . . . . 0.0 110.391 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HD2' ' HB ' ' A' ' 23' ' ' ILE . 72.6 mmtt -122.04 -54.89 1.9 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.101 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -70.6 -39.45 73.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.212 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 2.2 mmmm -67.59 -30.39 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.649 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 10.8 t -76.61 -31.11 57.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.427 0.632 . . . . 0.0 109.97 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.453 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.55 -25.59 45.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.614 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.21 -62.8 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.647 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.541 HG12 ' SG ' ' A' ' 34' ' ' CYS . 24.6 pt -140.42 19.02 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.14 48.86 61.58 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.923 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 53.6 m -130.6 160.03 35.41 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 43.7 pt -120.21 41.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.56 0.695 . . . . 0.0 110.259 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -139.01 52.0 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.915 0.864 . . . . 0.0 110.168 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.23 156.4 51.33 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.864 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 46.1 mmtm -122.86 131.27 53.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 28' ' ' MET . 64.2 m -43.88 108.91 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.808 0.843 . . . . 0.0 112.806 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -156.47 132.88 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.652 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 89.5 m-20 56.87 53.16 8.45 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.373 0.42 . . . . 0.0 111.245 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 30.5 mtmm 74.33 -36.49 0.33 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.171 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 4' ' ' MET . 3.2 mptp? -105.43 -125.77 0.23 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 84.6 m -150.59 154.55 37.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.016 -176.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -139.52 152.25 46.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.561 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.541 ' SG ' HG12 ' A' ' 20' ' ' ILE . 1.5 p . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.542 173.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.569 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 25.4 mmt . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.35 143.94 56.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.963 0.411 . . . . 0.0 110.966 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.493 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -75.58 52.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.783 0.801 . . . . 0.0 110.433 179.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -110.73 43.0 1.49 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.644 173.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 t 58.61 24.47 12.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.074 -172.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -127.55 11.28 6.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.995 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -72.99 -9.04 58.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.313 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t 75.56 -10.76 1.2 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.479 0.712 . . . . 0.0 112.084 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.49 -14.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 18.8 mm-40 -72.44 -29.08 63.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -170.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -73.14 -25.29 60.77 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.625 -0.83 . . . . 0.0 110.045 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 36.5 mmtm -82.44 -47.19 12.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.614 176.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.74 -45.69 60.92 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.141 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 4.1 tmtp? -58.31 -44.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 4.4 t -66.26 -32.72 74.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.814 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -25.79 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -89.13 -26.46 21.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.395 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -75.62 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.644 HG12 ' SG ' ' A' ' 34' ' ' CYS . 36.0 pt -116.39 -11.33 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 111.041 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.56 45.51 2.5 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.632 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.725 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.6 t -131.75 169.73 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.59 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 46.6 pt -120.79 29.48 2.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.523 0.678 . . . . 0.0 110.376 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 37.7 m-85 -126.26 53.86 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.817 0.818 . . . . 0.0 109.944 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.7 143.45 35.26 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 114.568 -1.196 . . . . 0.0 113.352 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -109.97 132.13 54.44 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.7 m -44.23 111.29 0.28 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.358 0.663 . . . . 0.0 112.54 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.0 121.99 5.49 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.526 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 60.06 53.3 4.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.513 0.508 . . . . 0.0 110.741 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' MET . 26.6 mtpp 70.34 -33.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.284 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -103.34 -127.09 0.22 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 176.034 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.4 m -147.76 163.93 35.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.36 0.6 . . . . 0.0 111.835 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -139.92 139.21 36.12 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.728 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.644 ' SG ' HG12 ' A' ' 20' ' ' ILE . 23.3 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.574 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 73.3 mtp . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 121.254 0.55 . . . . 0.0 111.453 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 4' ' ' MET . 29.6 t70 -114.58 5.16 15.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.19 -175.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.65 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 46.32 26.8 0.51 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.779 1.232 . . . . 0.0 113.174 -175.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 3' ' ' ASP . 49.2 mtp180 -129.34 61.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 t 72.48 23.13 3.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.813 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -165.96 12.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.888 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' ' H ' ' A' ' 4' ' ' MET . . . -75.46 -1.4 23.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -174.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m 70.67 20.02 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.278 0.361 . . . . 0.0 111.437 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.98 -29.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 mp0 -62.97 -32.22 73.51 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.962 0.411 . . . . 0.0 110.326 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 63.3 m -69.9 -0.97 8.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -113.8 -52.72 2.73 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.189 0.518 . . . . 0.0 109.777 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -72.46 -35.81 68.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.642 -172.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.68 -47.51 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 109.625 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 36.3 m -63.12 -29.53 70.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.892 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -35.53 81.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.76 -32.06 46.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.241 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.23 -73.01 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.71 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.9 -13.55 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.38 . . . . 0.0 111.747 -175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.93 55.18 1.32 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.544 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -139.0 163.66 31.8 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 pt -128.69 33.08 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.907 0.86 . . . . 0.0 109.962 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -131.5 52.01 2.1 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.085 0.945 . . . . 0.0 108.962 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -74.48 155.47 48.67 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 113.657 -1.611 . . . . 0.0 115.153 -172.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.08 128.05 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.58 -0.81 . . . . 0.0 109.546 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 t -46.7 112.18 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.523 0.515 . . . . 0.0 111.272 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.6 mmm -162.23 131.24 4.3 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -173.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 73.0 m-20 57.94 59.63 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.846 172.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 31' ' ' LYS . 27.9 mtpp 74.08 -27.27 0.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.174 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 1.3 mptm? -125.22 -114.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 92.3 m -147.1 164.82 31.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.88 0.372 . . . . 0.0 110.607 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -150.0 141.17 23.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.05 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.534 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 77.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.734 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.716 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 2.3 mpt? 60.38 83.62 0.14 Allowed 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 121.327 0.584 . . . . 0.0 109.987 -176.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -127.49 33.86 4.78 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.685 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 40.49 39.69 0.76 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.237 1.015 . . . . 0.0 113.379 174.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 5' ' ' ARG . 10.3 ptp180 -125.63 41.79 3.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.927 0.394 . . . . 0.0 111.916 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 11.9 t 61.9 27.33 16.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.797 0.808 . . . . 0.0 110.379 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 m -164.14 25.94 0.07 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.618 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.716 ' O ' ' HG3' ' A' ' 2' ' ' MET . . . -79.34 -2.31 40.94 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.464 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 m 65.69 34.68 7.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.603 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.7 p -169.63 -25.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 1.0 OUTLIER -61.95 -20.97 64.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.859 0.361 . . . . 0.0 111.051 -176.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 55.7 m -75.64 15.52 0.48 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.082 0.468 . . . . 0.0 111.365 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 27.5 mmtp -126.4 -62.61 1.14 Allowed 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.008 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.01 -48.72 75.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.072 -175.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HG3' ' CB ' ' A' ' 31' ' ' LYS . 5.7 tmtt? -57.75 -41.99 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.245 0.545 . . . . 0.0 110.287 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.687 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 3.7 t -69.67 -31.65 69.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.237 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.2 -31.85 66.26 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.932 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -79.83 -28.27 40.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.384 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.27 -71.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.603 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.697 HG12 ' SG ' ' A' ' 34' ' ' CYS . 37.0 pt -121.82 -6.01 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.732 0.301 . . . . 0.0 111.466 -178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.81 49.18 2.98 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.834 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.687 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 22.6 t -132.3 159.11 40.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 -176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 45.0 pt -116.07 31.01 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.628 0.727 . . . . 0.0 109.976 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -131.35 50.36 2.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.736 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.55 158.85 53.68 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.399 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.4 mmtp -119.11 128.77 54.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 122.513 0.325 . . . . 0.0 110.34 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 t -43.22 101.74 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.077 0.951 . . . . 0.0 112.542 -177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -160.39 145.47 14.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.854 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 59.37 42.58 17.8 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 122.776 0.43 . . . . 0.0 111.699 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 73.8 mmtt 67.7 1.24 2.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.775 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CB ' ' HG3' ' A' ' 15' ' ' LYS . 34.4 mmtp -138.06 -121.48 0.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 90.8 m -147.04 153.54 40.13 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.78 173.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -123.13 164.02 19.46 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.243 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.697 ' SG ' HG12 ' A' ' 20' ' ' ILE . 10.0 m . . . . . 0 C--O 1.25 1.081 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 167.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.62 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 93.4 mmm -99.79 155.42 17.66 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -55.32 133.94 49.82 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.209 0.318 . . . . 0.0 110.382 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.755 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 70.2 mtm -62.47 -5.1 2.26 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.445 -174.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 45.0 mtm180 -73.93 63.63 0.93 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.6 t 72.0 -32.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.983 0.913 . . . . 0.0 112.588 172.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' ARG . 20.4 t -92.88 25.17 3.28 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.892 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.755 ' HB2' ' HA ' ' A' ' 4' ' ' MET . . . -80.86 1.11 32.1 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.256 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m 60.27 27.43 16.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.297 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.7 p -173.98 -36.43 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 12.2 mm-40 -65.24 -36.46 84.19 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -72.55 -6.45 44.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 110.143 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 32.6 mmtp -98.5 -58.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.002 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.42 -34.48 72.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.201 -172.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.509 ' HG2' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -65.24 -32.98 74.93 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.541 -177.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.751 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 3.6 m -88.07 -15.65 35.71 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.196 0.522 . . . . 0.0 110.878 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.39 -37.94 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 175.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -72.12 -33.54 67.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.775 173.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.96 -61.95 2.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.262 176.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.3 pt -133.55 -31.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.853 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.13 8.99 4.34 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.232 -176.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 t -102.14 134.41 45.43 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 36.9 pt -87.36 -4.46 9.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.536 0.684 . . . . 0.0 110.345 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -93.79 60.02 2.89 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.666 0.746 . . . . 0.0 109.628 -176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.751 ' HA2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.44 155.26 36.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 114.473 -1.239 . . . . 0.0 115.607 -173.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 14.0 mmmm -99.46 105.02 16.91 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 114.843 -0.679 . . . . 0.0 110.286 174.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 77.0 m -44.95 101.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.818 0.699 . . . . 0.0 112.43 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.5 mmt -163.19 149.26 11.97 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.244 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 55.38 44.34 27.37 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.124 0.488 . . . . 0.0 110.375 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 46.5 mmtm 73.21 -35.7 0.33 Allowed 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.001 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 3.4 mppt? -106.35 -111.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.028 -0.42 . . . . 0.0 110.133 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 65.9 m -150.5 150.12 30.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.668 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 41.3 mtpt -124.52 139.39 53.92 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.277 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.662 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 72.8 m . . . . . 0 C--N 1.311 -1.079 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.892 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.489 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 26.3 mmt -127.01 166.76 16.96 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -81.84 148.51 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.221 -175.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.583 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 3.2 mpp? -74.92 48.74 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 123.375 0.67 . . . . 0.0 111.175 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -108.94 41.16 1.66 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.943 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.3 t 69.7 29.07 4.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.269 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -152.58 15.02 0.58 Allowed 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.048 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.602 ' HB3' ' HG3' ' A' ' 11' ' ' GLU . . . -70.13 -1.33 9.73 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.7 p 67.2 -16.55 0.15 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.955 1.302 . . . . 0.0 113.409 173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.514 ' O ' ' HB2' ' A' ' 14' ' ' GLN . 19.0 m -133.47 24.16 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.193 0.521 . . . . 0.0 110.465 177.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -82.26 -39.9 22.34 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.701 -175.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.574 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 74.9 m -76.18 2.5 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 29.9 mmtp -115.32 -38.35 3.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.249 -0.58 . . . . 0.0 110.356 174.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 10' ' ' VAL . 6.2 mm100 -89.27 -45.61 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.01 -23.07 62.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.189 -175.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.756 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 9.5 t -81.88 -27.84 33.26 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.798 0.809 . . . . 0.0 109.432 172.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -74.19 -37.27 63.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.569 -179.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -74.87 -24.98 58.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.175 174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -72.1 -74.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.214 177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.775 HG12 ' SG ' ' A' ' 34' ' ' CYS . 20.3 pt -115.59 -21.59 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.164 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.54 47.15 0.93 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.443 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.756 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 13.9 t -131.33 147.0 52.53 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.642 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 39.1 pt -102.13 23.72 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.706 0.765 . . . . 0.0 110.037 174.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -121.65 51.82 1.29 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.113 0.959 . . . . 0.0 109.742 -176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.67 154.43 52.3 Favored Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 113.932 -1.486 . . . . 0.0 114.073 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 35.2 mmtm -108.88 128.48 54.96 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.433 0.693 . . . . 0.0 109.864 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.5 t -63.31 99.96 0.22 Allowed 'General case' 0 C--N 1.32 -0.674 0 O-C-N 123.203 0.314 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.4 mmt -153.2 137.25 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.326 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 63.36 34.41 13.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.081 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.9 mttm 72.45 -11.15 0.85 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.58 0.752 . . . . 0.0 111.853 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.66 -156.38 0.61 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.697 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 92.8 m -136.15 121.52 19.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-O 121.045 0.45 . . . . 0.0 111.19 178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -94.85 161.0 14.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.764 -178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.775 ' SG ' HG12 ' A' ' 20' ' ' ILE . 58.2 m . . . . . 0 C--N 1.31 -1.111 0 CA-C-O 118.66 -0.686 . . . . 0.0 110.627 173.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.621 ' HG2' ' SD ' ' A' ' 2' ' ' MET . 4.0 pm0 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.521 0.201 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.621 ' SD ' ' HG2' ' A' ' 1' ' ' GLN . 1.5 mpt? -89.16 120.86 30.92 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.57 149.21 46.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.121 0.486 . . . . 0.0 110.826 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.574 ' O ' ' HB3' ' A' ' 31' ' ' LYS . 26.1 ptt? -61.14 -10.35 6.23 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.027 -177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 77.7 mtp180 -71.63 66.1 0.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.939 0.4 . . . . 0.0 111.691 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.9 t 54.33 38.25 29.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.822 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.517 ' C ' ' HB3' ' A' ' 2' ' ' MET . 36.0 t -135.09 -26.33 1.31 Allowed 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.307 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.62 ' HA ' ' CB ' ' A' ' 2' ' ' MET . . . -58.23 -4.04 0.32 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 t 75.38 -24.01 0.23 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.394 0.678 . . . . 0.0 111.804 173.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.26 10.86 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.299 0.571 . . . . 0.0 110.306 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -74.31 -38.72 63.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.946 -175.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 80.2 m -78.78 20.37 0.46 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 41.9 mmtm -137.5 -60.67 0.65 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.662 174.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.08 -39.49 65.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.324 -173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 73.4 mmtt -70.63 -40.03 73.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.882 -178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 22.1 p -79.23 -14.45 59.05 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 121.119 0.485 . . . . 0.0 110.353 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -74.15 -41.09 62.07 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.76 -25.08 61.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.248 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -66.52 0.58 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.174 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 34' ' ' CYS . 38.9 pt -132.65 6.96 1.54 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.182 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -174.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.69 43.82 14.02 Favored Glycine 0 C--O 1.229 -0.169 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.377 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -130.55 169.38 15.66 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.466 HG13 ' CE2' ' A' ' 24' ' ' PHE . 21.9 pt -136.3 41.85 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-O 121.355 0.597 . . . . 0.0 111.383 -175.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.466 ' CE2' HG13 ' A' ' 23' ' ' ILE . 41.6 m-85 -141.87 46.05 1.67 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -176.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' A' ' 32' ' ' CYS . . . -59.27 136.38 50.94 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 114.237 -1.347 . . . . 0.0 115.165 -168.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.4 mmmt -103.89 136.77 42.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.457 -0.872 . . . . 0.0 108.838 173.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.28 98.17 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.106 0.479 . . . . 0.0 111.374 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.42 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 10.5 mmt -158.5 154.38 26.64 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.061 -176.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 18.4 m120 57.8 36.59 26.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.464 . . . . 0.0 109.895 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 62.3 mttp 75.94 -32.77 0.21 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 114.768 -1.106 . . . . 0.0 112.223 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.574 ' HB3' ' O ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -111.69 -103.8 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.256 -0.577 . . . . 0.0 109.805 178.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.553 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 86.6 m -147.41 132.27 18.05 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.583 0.706 . . . . 0.0 112.032 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 28' ' ' MET . 10.1 ttpp -119.53 129.79 54.86 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.708 172.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 1.293 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 59.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.653 -0.689 . . . . 0.0 109.92 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.858 0.361 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.608 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 41.2 mmm -85.14 167.18 15.98 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 172.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -76.59 146.67 38.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 67.1 mtm -78.56 60.07 2.59 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.569 0.7 . . . . 0.0 109.655 -176.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -124.31 53.09 1.45 Allowed 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 114.402 -1.272 . . . . 0.0 110.09 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 49.5 t 55.46 49.52 16.61 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 2' ' ' MET . 35.7 t -158.35 -16.7 0.07 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.768 -1.105 . . . . 0.0 111.536 -174.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.608 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -67.8 -7.55 28.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.476 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t 76.03 6.54 3.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.428 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.7 m -140.02 -9.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 -176.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.9 mp0 -66.44 -33.92 76.78 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.803 -0.561 . . . . 0.0 110.605 -174.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.519 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.9 m -80.09 11.98 3.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.445 . . . . 0.0 111.063 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 17' ' ' LEU . 30.2 mmtp -126.58 -47.14 1.57 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.09 175.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -82.3 -43.22 17.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.383 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 32' ' ' CYS . 4.7 tmtp? -65.03 -42.46 94.32 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.276 0.56 . . . . 0.0 109.721 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 9.5 t -63.18 -28.67 70.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.153 176.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 1.2 tt -74.31 -32.06 62.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.637 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.63 -37.19 70.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.028 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.6 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.549 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.756 HG12 ' SG ' ' A' ' 34' ' ' CYS . 32.9 pt -130.28 -10.01 2.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.47 43.9 3.08 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.756 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.576 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -127.98 148.12 50.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.71 -0.245 . . . . 0.0 110.855 -175.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' LYS . 42.5 pt -104.25 32.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.73 0.776 . . . . 0.0 110.497 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -129.53 46.94 2.56 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.825 0.822 . . . . 0.0 110.164 -173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.18 156.18 52.26 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.294 -1.321 . . . . 0.0 114.321 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.639 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.7 mmtp -115.54 129.04 56.4 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.017 0.927 . . . . 0.0 110.113 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.1 m -59.17 105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.123 0.487 . . . . 0.0 111.891 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.499 ' HB2' ' HG3' ' A' ' 33' ' ' LYS . 23.7 mmt -139.55 124.77 18.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.28 63.09 1.47 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.75 0.656 . . . . 0.0 112.574 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 97.7 mttt 77.18 -29.45 0.17 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.653 173.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -115.05 -157.54 0.64 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.649 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 84.7 m -138.99 134.06 32.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.115 0.483 . . . . 0.0 112.208 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.499 ' HG3' ' HB2' ' A' ' 28' ' ' MET . 31.2 mtpt -107.81 159.73 16.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.435 178.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.756 ' SG ' HG12 ' A' ' 20' ' ' ILE . 22.4 m . . . . . 0 C--N 1.309 -1.161 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.344 175.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.587 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 20.9 mmt -81.74 164.09 21.98 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.537 177.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.83 142.53 38.49 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.517 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -73.78 45.92 0.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.663 0.744 . . . . 0.0 111.794 -177.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -101.1 34.46 2.51 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.42 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 37.8 t 75.35 29.89 0.88 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.047 -0.978 . . . . 0.0 108.578 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 t -158.6 19.55 0.22 Allowed 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 114.475 -1.239 . . . . 0.0 110.029 -177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.587 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -74.16 -6.72 49.42 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.861 0.362 . . . . 0.0 110.172 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.8 t 68.97 12.59 8.66 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.904 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 14' ' ' GLN . 8.8 p -138.77 -16.19 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.437 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 8' ' ' ALA . 4.6 mp0 -66.63 -34.94 78.99 Favored 'General case' 0 CA--C 1.518 -0.277 0 O-C-N 121.686 -0.634 . . . . 0.0 110.256 -177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 61.2 m -75.36 11.45 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.059 0.457 . . . . 0.0 110.718 178.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 23' ' ' ILE . 9.0 mmmm -127.43 -51.41 1.39 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.967 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG2' HG22 ' A' ' 10' ' ' VAL . 14.2 mm100 -88.11 -41.06 13.29 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' HG3' ' HB3' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -66.3 -34.45 78.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.445 -179.408 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 8.8 t -72.57 -27.14 62.02 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.549 0.69 . . . . 0.0 109.766 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 13' ' ' LYS . 4.5 tt -73.8 -38.85 64.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.02 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -66.29 -32.91 74.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.392 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.33 -76.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.557 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.603 HG12 ' SG ' ' A' ' 34' ' ' CYS . 30.9 pt -114.15 -19.92 6.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 111.146 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.08 1.57 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.51 -175.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.711 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 14.6 t -124.43 142.46 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 41.5 pt -101.7 25.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.612 0.72 . . . . 0.0 110.1 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -126.61 49.71 2.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.849 0.833 . . . . 0.0 109.326 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.98 161.13 49.89 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.327 -1.306 . . . . 0.0 113.786 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 33.5 mmtp -122.77 128.77 50.92 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.316 0.246 . . . . 0.0 110.414 -178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.4 t -49.55 106.59 0.11 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.282 0.633 . . . . 0.0 112.428 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 26.2 mmt -148.38 133.07 17.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.52 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.6 p30 43.24 54.37 5.08 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 113.359 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' C ' ' HD3' ' A' ' 31' ' ' LYS . 67.2 mttm 73.82 -4.13 2.33 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.817 174.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HD3' ' C ' ' A' ' 30' ' ' LYS . 4.0 mppt? -131.8 -150.17 0.41 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 173.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.455 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 97.6 m -135.03 124.86 25.46 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-O 121.472 0.653 . . . . 0.0 111.476 177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -111.15 144.45 40.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.021 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.603 ' SG ' HG12 ' A' ' 20' ' ' ILE . 3.4 m . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.464 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.566 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 80.5 mmm -104.66 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.53 145.87 54.49 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.495 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -77.74 53.08 1.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.064 0.935 . . . . 0.0 110.035 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -109.74 37.03 2.77 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.162 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 30' ' ' LYS . 32.9 t 66.82 36.73 4.39 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 122.252 1.025 . . . . 0.0 109.08 -176.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 2' ' ' MET . 16.5 m -157.48 17.26 0.27 Allowed 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.101 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -70.94 -17.0 62.7 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.385 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 t 72.09 14.0 5.75 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 124.046 0.841 . . . . 0.0 110.419 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 14' ' ' GLN . 9.9 p -148.09 -9.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG3' ' HB3' ' A' ' 8' ' ' ALA . 1.4 mp0 -67.05 -37.18 83.59 Favored 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.636 -0.665 . . . . 0.0 110.32 -174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 23.3 m -77.78 12.5 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.705 -177.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 31.1 mmtp -126.78 -50.14 1.48 Allowed 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.235 174.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' HG2' HG22 ' A' ' 10' ' ' VAL . 29.6 mm-40 -82.98 -42.22 17.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HG2' ' HB3' ' A' ' 31' ' ' LYS . 14.8 tptp -64.49 -38.4 90.9 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 177.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 5.4 t -59.34 -34.95 72.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.227 174.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD23 ' HA2' ' A' ' 21' ' ' GLY . 0.8 OUTLIER -78.23 -38.87 41.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.196 -176.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -71.1 -23.63 62.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.996 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.33 -74.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.187 175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 pt -128.32 13.87 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.932 -173.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 17' ' ' LEU . . . 74.09 42.5 36.24 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.346 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.617 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -124.41 167.2 14.71 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 122.288 0.235 . . . . 0.0 110.457 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 42.0 pt -128.12 35.56 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.52 0.676 . . . . 0.0 110.406 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -133.93 51.17 2.15 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.904 0.859 . . . . 0.0 109.385 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.651 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -68.93 155.79 53.54 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 114.119 -1.4 . . . . 0.0 114.516 -173.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 31.8 mmmt -107.12 118.66 37.3 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.168 0.587 . . . . 0.0 110.823 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.02 101.16 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.901 0.48 . . . . 0.0 112.006 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 83.1 mmm -155.25 129.4 8.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.769 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.1 m120 64.59 42.59 4.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.535 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' MET . 61.7 mttp 73.53 -10.37 1.06 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.193 0.597 . . . . 0.0 112.1 176.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 3.9 mppt? -125.81 -152.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 95.6 m -138.26 129.6 27.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.796 0.331 . . . . 0.0 110.962 178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -100.19 158.01 16.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.098 -175.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.651 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 66.4 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.584 -0.722 . . . . 0.0 109.993 173.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.589 0.233 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.583 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 4.9 mpp? 67.56 99.64 0.05 Allowed 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.743 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -110.35 -0.64 17.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.701 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.555 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 23.5 ptp 46.93 25.74 0.5 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.445 1.498 . . . . 0.0 112.994 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 46.3 mtp180 -137.01 64.51 1.53 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.455 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.8 t 50.36 41.67 24.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.88 0.847 . . . . 0.0 110.306 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.8 t -164.56 10.65 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.956 -175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' CB ' ' HA ' ' A' ' 2' ' ' MET . . . -82.56 -78.42 0.21 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.635 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -174.63 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.315 -173.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.62 14.54 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -166.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.3 mp0 -70.26 -32.8 70.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.989 -0.444 . . . . 0.0 111.664 -172.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HA ' ' HB2' ' A' ' 32' ' ' CYS . 57.8 m -83.89 10.42 9.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.369 0.604 . . . . 0.0 110.391 178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' HD2' ' HB ' ' A' ' 23' ' ' ILE . 72.6 mmtt -122.04 -54.89 1.9 Allowed 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.101 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -70.6 -39.45 73.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.167 -0.47 . . . . 0.0 112.212 -174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 2.2 mmmm -67.59 -30.39 69.98 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.649 177.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.821 ' SG ' ' HB2' ' A' ' 22' ' ' SER . 10.8 t -76.61 -31.11 57.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.427 0.632 . . . . 0.0 109.97 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -64.29 -38.92 92.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.453 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -78.55 -25.59 45.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.614 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.21 -62.8 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.647 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.541 HG12 ' SG ' ' A' ' 34' ' ' CYS . 24.6 pt -140.42 19.02 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.14 48.86 61.58 Favored Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.923 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.821 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 53.6 m -130.6 160.03 35.41 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' HB ' ' HD2' ' A' ' 13' ' ' LYS . 43.7 pt -120.21 41.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.56 0.695 . . . . 0.0 110.259 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -139.01 52.0 1.79 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.915 0.864 . . . . 0.0 110.168 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.23 156.4 51.33 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.864 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 46.1 mmtm -122.86 131.27 53.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 28' ' ' MET . 64.2 m -43.88 108.91 0.12 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.808 0.843 . . . . 0.0 112.806 -174.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' CYS . 0.2 OUTLIER -156.47 132.88 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.652 -179.407 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 89.5 m-20 56.87 53.16 8.45 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.373 0.42 . . . . 0.0 111.245 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 30.5 mtmm 74.33 -36.49 0.33 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.171 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 4' ' ' MET . 3.2 mptp? -105.43 -125.77 0.23 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 84.6 m -150.59 154.55 37.74 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.016 -176.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -139.52 152.25 46.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.561 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.541 ' SG ' HG12 ' A' ' 20' ' ' ILE . 1.5 p . . . . . 0 C--O 1.247 0.953 0 CA-C-O 119.094 -0.479 . . . . 0.0 110.542 173.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.176 0.512 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.569 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 25.4 mmt -92.1 157.86 16.51 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 175.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.35 143.94 56.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.963 0.411 . . . . 0.0 110.966 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.493 ' O ' ' HB3' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -75.58 52.14 0.63 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.783 0.801 . . . . 0.0 110.433 179.071 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -110.73 43.0 1.49 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.644 173.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 t 58.61 24.47 12.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.074 -172.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -127.55 11.28 6.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.995 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.569 ' HA ' ' HB2' ' A' ' 2' ' ' MET . . . -72.99 -9.04 58.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.313 -176.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t 75.56 -10.76 1.2 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.479 0.712 . . . . 0.0 112.084 174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.9 m -133.49 -14.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 18.8 mm-40 -72.44 -29.08 63.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -170.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -73.14 -25.29 60.77 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 119.625 -0.83 . . . . 0.0 110.045 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 23' ' ' ILE . 36.5 mmtm -82.44 -47.19 12.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.614 176.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -71.74 -45.69 60.92 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.141 -174.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 11' ' ' GLU . 4.1 tmtp? -58.31 -44.9 88.8 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' ' 22' ' ' SER . 4.4 t -66.26 -32.72 74.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.814 -178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.83 -25.79 60.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.96 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -89.13 -26.46 21.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.395 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.36 -75.62 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.041 177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.644 HG12 ' SG ' ' A' ' 34' ' ' CYS . 36.0 pt -116.39 -11.33 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 111.041 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.56 45.51 2.5 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.632 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.725 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 3.6 t -131.75 169.73 15.79 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -177.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.59 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 46.6 pt -120.79 29.48 2.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.523 0.678 . . . . 0.0 110.376 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.457 ' HD2' ' OG ' ' A' ' 22' ' ' SER . 37.7 m-85 -126.26 53.86 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.817 0.818 . . . . 0.0 109.944 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.7 143.45 35.26 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 114.568 -1.196 . . . . 0.0 113.352 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -109.97 132.13 54.44 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.7 m -44.23 111.29 0.28 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.358 0.663 . . . . 0.0 112.54 -176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 81.1 mmm -155.0 121.99 5.49 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.526 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 60.06 53.3 4.65 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.513 0.508 . . . . 0.0 110.741 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' MET . 26.6 mtpp 70.34 -33.34 0.26 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.284 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -103.34 -127.09 0.22 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 176.034 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 91.4 m -147.76 163.93 35.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.36 0.6 . . . . 0.0 111.835 -178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -139.92 139.21 36.12 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.728 174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.644 ' SG ' HG12 ' A' ' 20' ' ' ILE . 23.3 m . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.63 -0.7 . . . . 0.0 110.574 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.516 ' HG2' ' O ' ' A' ' 8' ' ' ALA . 73.3 mtp 64.33 97.07 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.845 0.716 . . . . 0.0 111.453 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 4' ' ' MET . 29.6 t70 -114.58 5.16 15.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.19 -175.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.65 ' H ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 46.32 26.8 0.51 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.779 1.232 . . . . 0.0 113.174 -175.418 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 3' ' ' ASP . 49.2 mtp180 -129.34 61.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.7 t 72.48 23.13 3.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.813 167.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -165.96 12.24 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.888 -176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' ' H ' ' A' ' 4' ' ' MET . . . -75.46 -1.4 23.92 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -174.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 m 70.67 20.02 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.278 0.361 . . . . 0.0 111.437 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.98 -29.6 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -177.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' CD ' ' HB3' ' A' ' 8' ' ' ALA . 2.0 mp0 -62.97 -32.22 73.51 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.962 0.411 . . . . 0.0 110.326 -177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 32' ' ' CYS . 63.3 m -69.9 -0.97 8.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -113.8 -52.72 2.73 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 121.189 0.518 . . . . 0.0 109.777 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -72.46 -35.81 68.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.642 -172.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 tmtp? -65.68 -47.51 75.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 109.625 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 36.3 m -63.12 -29.53 70.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.892 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -35.53 81.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -78.76 -32.06 46.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.241 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.23 -73.01 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.71 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 45.4 pt -123.9 -13.55 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.38 . . . . 0.0 111.747 -175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.93 55.18 1.32 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.544 -175.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 t -139.0 163.66 31.8 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 pt -128.69 33.08 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.907 0.86 . . . . 0.0 109.962 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -131.5 52.01 2.1 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 122.085 0.945 . . . . 0.0 108.962 -177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.534 ' HA2' ' SG ' ' A' ' 34' ' ' CYS . . . -74.48 155.47 48.67 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 113.657 -1.611 . . . . 0.0 115.153 -172.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -111.08 128.05 55.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.58 -0.81 . . . . 0.0 109.546 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 35.0 t -46.7 112.18 0.48 Allowed 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.523 0.515 . . . . 0.0 111.272 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 65.6 mmm -162.23 131.24 4.3 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.196 -173.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 73.0 m-20 57.94 59.63 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.846 172.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' C ' ' HD2' ' A' ' 31' ' ' LYS . 27.9 mtpp 74.08 -27.27 0.19 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.736 -0.666 . . . . 0.0 112.174 176.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.531 ' HD2' ' C ' ' A' ' 30' ' ' LYS . 1.3 mptm? -125.22 -114.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 175.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 12' ' ' CYS . 92.3 m -147.1 164.82 31.84 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 120.88 0.372 . . . . 0.0 110.607 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -150.0 141.17 23.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.05 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.534 ' SG ' ' HA2' ' A' ' 25' ' ' GLY . 77.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.734 170.851 . . . . . . . . 1 1 . 1 stop_ save_