data_2mdb_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mdb _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -103.5 148.47 25.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.08 152.74 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.512 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.758 HH21 ' HE ' ' A' ' 14' ' ' ARG . 42.2 ttm180 -129.5 125.58 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.047 0.451 . . . . 0.0 110.348 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.37 138.65 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.12 131.7 45.91 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.91 -82.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -90.59 36.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.32 -4.44 77.09 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.8 mt -103.26 120.92 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.402 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 m -101.24 129.53 47.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.309 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 14' ' ' ARG . 85.3 t80 -140.88 155.57 46.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.758 ' HE ' HH21 ' A' ' 5' ' ' ARG . 99.8 mtt180 -76.58 140.73 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -126.96 76.38 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.68 157.37 18.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 3' ' ' CYS . 58.0 t-105 . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 89.7 m -87.95 160.95 17.7 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.217 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -122.19 144.0 49.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -157.48 107.64 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.314 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.7 130.32 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 m -100.28 141.76 32.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.916 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.506 ' C ' ' H ' ' A' ' 10' ' ' GLY . 33.0 t80 -150.44 -65.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.438 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -75.47 22.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.757 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 83.55 -6.98 70.66 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -113.57 119.55 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.2 m -86.97 132.66 33.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.359 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -109.83 157.6 19.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NH1' ' SG ' ' A' ' 16' ' ' CYS . 73.3 ttt-85 -131.58 129.5 41.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.139 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -137.81 141.93 40.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.465 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' NH1' ' A' ' 14' ' ' ARG . 72.2 m -138.09 158.41 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.898 0.38 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 9.1 t -97.7 147.53 24.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.026 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.27 123.81 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -135.38 108.44 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.68 142.35 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.156 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 m -102.98 131.42 49.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.978 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.532 ' C ' ' H ' ' A' ' 10' ' ' GLY . 65.4 t80 -150.32 -54.09 0.15 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.891 0.377 . . . . 0.0 110.475 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -73.47 21.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 78.44 1.0 80.81 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 11' ' ' ILE . 93.2 mt -125.16 128.4 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.618 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -94.2 128.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 57.8 t80 -150.61 163.67 37.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.517 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 34.3 ptt-85 -127.04 142.14 51.61 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.461 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -122.64 85.25 2.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 m -92.89 148.64 21.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.205 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.331 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.934 0.397 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.9 m -90.19 152.7 20.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.415 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.99 120.73 43.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -147.31 81.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.9 135.04 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.385 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -86.6 145.05 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.537 179.488 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -145.06 -58.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -83.61 19.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.27 -6.65 82.39 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.36 130.06 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.941 0.401 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 66.6 m -87.18 119.59 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.405 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.78 132.35 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -99.27 134.14 42.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.341 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -152.26 123.21 7.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.96 170.76 15.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.703 179.699 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 3.9 t -127.12 157.82 38.67 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -131.81 152.75 50.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 0.0 110.314 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -142.25 138.69 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.077 0.465 . . . . 0.0 110.373 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 p -145.08 139.48 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 m -109.83 131.91 54.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.52 45.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 52.14 58.96 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.05 0.452 . . . . 0.0 110.644 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.01 -42.29 1.11 Allowed Glycine 0 C--N 1.33 0.222 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.51 123.77 65.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.347 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -127.83 133.46 49.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.969 0.414 . . . . 0.0 110.633 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -159.94 167.41 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -136.75 155.24 50.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 63.4 ttm-85 -137.07 118.51 14.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.438 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 m -113.01 145.95 39.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.688 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 11.2 t -120.82 151.72 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.04 149.29 47.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -142.96 144.73 32.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.04 0.448 . . . . 0.0 110.319 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -142.86 141.7 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 m -110.97 118.82 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.384 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.54 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 74.1 m-85 -102.38 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.551 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HE ' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.42 20.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.439 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 98.22 -5.95 61.34 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 HG22 HD12 ' A' ' 11' ' ' ILE . 78.7 mt -106.8 123.27 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 110.279 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.75 128.35 38.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.41 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -108.46 131.63 54.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.965 0.412 . . . . 0.0 110.158 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -91.14 139.24 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 84.6 mtt85 -138.0 87.11 2.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -107.87 150.32 27.2 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.781 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.465 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.897 0.38 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.52 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 3.2 t -119.03 161.22 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.08 149.02 51.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.681 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -139.99 91.7 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.574 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.99 131.8 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -89.03 133.07 34.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -95.35 -78.44 0.45 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -100.72 44.3 1.02 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.453 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.66 0.04 87.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -102.4 115.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 m -103.02 134.28 46.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.438 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 80.5 t80 -151.88 149.33 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -89.46 132.57 34.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.136 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 85.3 mtp180 -120.91 89.04 3.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -97.64 134.46 40.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.471 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.834 0.35 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -107.7 155.66 19.94 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -133.89 153.64 51.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 14' ' ' ARG . 18.5 ptp180 -136.57 146.69 46.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -142.84 139.28 27.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.494 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 2.3 t -137.85 123.69 20.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.69 -75.96 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.645 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -109.63 46.63 0.99 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.06 -1.18 77.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 pt -90.16 74.63 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 110.065 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m -88.71 127.77 35.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.377 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 12' ' ' CYS . 82.9 m-85 -146.04 146.59 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 95.6 mtt-85 -80.45 147.79 30.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -134.67 61.51 1.67 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.444 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.7 158.42 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.466 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 N--CA 1.466 0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.444 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 32.0 t90 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.81 0.338 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 17.7 m -80.99 163.12 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -129.3 147.66 51.15 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.434 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' SG ' ' A' ' 7' ' ' CYS . 74.2 ttp85 -148.59 136.37 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -141.91 141.58 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.063 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' SG ' ' NH1' ' A' ' 5' ' ' ARG . 34.0 m -121.29 152.26 39.11 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.35 -85.72 0.47 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -96.26 38.92 1.17 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.89 -4.77 72.12 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -101.26 117.48 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.02 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.18 128.98 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.257 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.55 137.83 41.82 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -108.56 135.2 50.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -143.74 131.04 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.02 163.06 40.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.866 0.365 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.3 m -104.74 155.88 18.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.954 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -131.95 150.89 52.03 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -149.13 138.83 21.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.6 140.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -93.75 104.9 16.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.389 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -70.1 -40.35 74.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -147.49 41.11 1.04 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.49 57.61 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.38 114.51 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.312 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 m -93.24 127.89 39.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.252 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -107.28 130.18 54.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.924 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.41 141.5 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.316 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.587 ' CZ ' HH21 ' A' ' 17' ' ' ARG . 70.7 ttt180 -141.5 128.06 20.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.51 150.31 50.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.587 HH21 ' CZ ' ' A' ' 15' ' ' ARG . 11.3 ptp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.432 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.63 142.71 42.13 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -131.1 149.52 52.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -144.53 146.26 32.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.68 136.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.39 131.21 55.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.788 0.328 . . . . 0.0 110.184 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -92.33 -84.72 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -132.81 59.75 1.72 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 -14.07 56.5 Favored Glycine 0 N--CA 1.465 0.631 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -107.69 116.31 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.55 147.37 52.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -147.78 163.58 36.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -126.12 147.36 49.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -135.94 118.07 15.46 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.35 145.69 29.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.417 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.8 m95 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.6 m -128.43 142.5 51.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -140.05 153.12 46.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -142.12 133.58 26.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.587 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -146.43 140.72 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.7 m -87.78 107.19 18.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -105.6 -17.75 14.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.655 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -135.4 23.43 3.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.2 -9.31 69.87 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 11' ' ' ILE . 91.9 mt -121.01 128.23 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 12.8 m -92.47 92.36 8.04 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.367 . . . . 0.0 110.478 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 89.9 t80 -82.43 137.56 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.344 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 36.0 ptt180 -92.75 139.62 30.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.489 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.25 132.09 29.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.381 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.48 137.96 52.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.998 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.536 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.1 m95 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 m -98.54 161.22 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.218 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -130.81 149.54 52.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -142.99 93.45 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -131.13 132.68 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -98.06 132.55 43.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.184 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -95.47 -79.78 0.43 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -112.79 46.96 1.14 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.93 0.63 77.69 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 pt -96.33 72.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.254 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 m -81.12 117.29 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.15 144.98 31.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -79.3 144.2 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -132.63 123.25 26.04 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.45 160.09 42.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.623 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.817 0.341 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 33.6 t -139.31 149.54 44.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.293 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.65 111.89 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -138.41 96.15 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.291 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -129.32 132.48 66.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.24 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -94.15 128.39 40.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.038 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.8 -45.92 8.53 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.0 110.75 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -165.31 45.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.439 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -19.54 41.14 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -88.26 70.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 109.964 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.1 m -75.62 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.532 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.76 152.92 33.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.061 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -127.87 137.69 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.149 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 ttt180 -147.75 87.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -106.13 135.59 47.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 179.777 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.697 0.284 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -108.87 162.45 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.75 144.7 51.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -154.07 143.75 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -142.33 139.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.484 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -130.52 137.92 49.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -102.51 -63.59 1.15 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.675 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -139.81 60.89 1.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.31 81.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 95.9 mt -100.06 87.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 m -104.08 139.28 39.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.616 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -122.95 154.74 37.99 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -126.54 140.47 52.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.242 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -147.77 95.34 2.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.239 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -102.55 139.51 38.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.072 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.3 m95 . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.859 0.361 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.34 149.82 42.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.429 . . . . 0.0 110.351 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.19 151.57 49.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -145.55 101.24 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.271 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.1 131.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.05 131.79 35.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -81.34 -75.93 0.27 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.659 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -145.69 59.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.96 -22.09 23.96 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -107.53 123.0 62.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 110.257 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.66 142.19 51.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -151.95 158.47 43.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -106.74 141.65 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.55 142.62 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.02 147.71 52.66 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.5 m95 . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -125.28 144.64 50.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.09 73.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -114.07 80.02 1.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.173 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.38 148.63 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -94.13 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.383 178.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.26 -43.61 77.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.084 0.469 . . . . 0.0 110.218 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -159.05 51.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.83 -13.26 60.84 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -99.96 100.29 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.06 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.599 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 50.6 m -88.24 124.32 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.86 178.13 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -159.33 99.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.396 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -145.71 135.06 23.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.4 m -128.56 166.57 18.58 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.553 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.1 m95 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -87.71 142.09 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.73 154.96 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.46 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -118.44 135.3 54.44 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -144.81 145.69 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.415 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 m -109.99 131.96 54.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -103.97 -83.53 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -94.72 40.71 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 2.76 83.59 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 11' ' ' ILE . 86.8 mt -104.73 115.1 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -101.52 132.23 47.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.28 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 66.1 t80 -146.92 152.84 39.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -86.83 139.59 30.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.353 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.06 139.99 51.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -129.8 147.39 51.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' A' ' 3' ' ' CYS . 23.1 t90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.889 0.376 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 78.3 m -84.33 165.71 18.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.26 152.64 47.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -156.21 100.61 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.3 132.18 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.058 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m -89.48 146.04 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -128.86 -84.11 0.57 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -82.59 21.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.175 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.44 -14.66 56.57 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.8 mt -105.04 120.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 0.0 110.134 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.49 133.52 43.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.99 140.43 48.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -92.54 134.66 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.131 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -130.91 132.62 45.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.974 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.1 m -131.1 151.08 51.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.47 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 -179.883 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.28 147.43 39.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.26 143.76 44.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.06 93.1 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -134.15 136.6 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 16.0 m -85.01 108.49 17.63 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.162 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.31 -46.19 12.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.893 0.377 . . . . 0.0 110.657 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -115.88 23.32 12.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.53 -17.17 51.07 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -109.15 125.55 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.857 0.36 . . . . 0.0 110.153 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 55.9 m -90.27 125.59 35.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -113.5 137.75 51.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -88.14 110.98 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.272 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -110.22 103.41 12.09 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.262 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.49 141.25 36.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.227 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -141.9 137.4 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.48 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -103.5 148.47 25.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.08 152.74 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.512 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.758 HH21 ' HE ' ' A' ' 14' ' ' ARG . 42.2 ttm180 -129.5 125.58 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.047 0.451 . . . . 0.0 110.348 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.37 138.65 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.12 131.7 45.91 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.91 -82.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -90.59 36.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.32 -4.44 77.09 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.8 mt -103.26 120.92 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.402 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 m -101.24 129.53 47.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.309 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 14' ' ' ARG . 85.3 t80 -140.88 155.57 46.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.758 ' HE ' HH21 ' A' ' 5' ' ' ARG . 99.8 mtt180 -76.58 140.73 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -126.96 76.38 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.68 157.37 18.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -162.05 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 3' ' ' CYS . 58.0 t-105 -146.35 132.42 19.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.533 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 89.7 m -87.95 160.95 17.7 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.217 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -122.19 144.0 49.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -157.48 107.64 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.314 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.7 130.32 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 m -100.28 141.76 32.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.916 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.506 ' C ' ' H ' ' A' ' 10' ' ' GLY . 33.0 t80 -150.44 -65.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.438 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -75.47 22.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.757 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 83.55 -6.98 70.66 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -113.57 119.55 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.2 m -86.97 132.66 33.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.359 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -109.83 157.6 19.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NH1' ' SG ' ' A' ' 16' ' ' CYS . 73.3 ttt-85 -131.58 129.5 41.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.139 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -137.81 141.93 40.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.465 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' NH1' ' A' ' 14' ' ' ARG . 72.2 m -138.09 158.41 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -158.3 -81.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.016 -1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -101.64 99.03 9.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 9.1 t -97.7 147.53 24.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.026 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.27 123.81 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -135.38 108.44 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.68 142.35 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.156 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 m -102.98 131.42 49.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.978 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.532 ' C ' ' H ' ' A' ' 10' ' ' GLY . 65.4 t80 -150.32 -54.09 0.15 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.891 0.377 . . . . 0.0 110.475 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -73.47 21.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 78.44 1.0 80.81 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 11' ' ' ILE . 93.2 mt -125.16 128.4 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.618 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -94.2 128.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 57.8 t80 -150.61 163.67 37.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.517 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 34.3 ptt-85 -127.04 142.14 51.61 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.461 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -122.64 85.25 2.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 m -92.89 148.64 21.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.205 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -153.31 -25.04 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -156.35 121.51 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.9 m -90.19 152.7 20.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.415 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.99 120.73 43.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -147.31 81.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.9 135.04 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.385 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -86.6 145.05 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.537 179.488 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -145.06 -58.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -83.61 19.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.27 -6.65 82.39 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.36 130.06 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.941 0.401 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 66.6 m -87.18 119.59 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.405 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.78 132.35 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -99.27 134.14 42.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.341 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -152.26 123.21 7.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.96 170.76 15.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -162.45 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -109.26 142.6 39.88 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.287 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 3.9 t -127.12 157.82 38.67 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -131.81 152.75 50.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 0.0 110.314 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -142.25 138.69 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.077 0.465 . . . . 0.0 110.373 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 p -145.08 139.48 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 m -109.83 131.91 54.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.52 45.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 52.14 58.96 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.05 0.452 . . . . 0.0 110.644 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.01 -42.29 1.11 Allowed Glycine 0 C--N 1.33 0.222 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.51 123.77 65.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.347 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -127.83 133.46 49.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.969 0.414 . . . . 0.0 110.633 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -159.94 167.41 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -136.75 155.24 50.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 63.4 ttm-85 -137.07 118.51 14.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.438 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 m -113.01 145.95 39.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -169.42 36.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.5 pttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -115.78 147.07 41.37 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.36 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 11.2 t -120.82 151.72 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.04 149.29 47.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -142.96 144.73 32.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.04 0.448 . . . . 0.0 110.319 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -142.86 141.7 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 m -110.97 118.82 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.384 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.54 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 74.1 m-85 -102.38 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.551 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HE ' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.42 20.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.439 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 98.22 -5.95 61.34 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HG22 HD12 ' A' ' 11' ' ' ILE . 78.7 mt -106.8 123.27 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 110.279 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.75 128.35 38.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.41 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -108.46 131.63 54.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.965 0.412 . . . . 0.0 110.158 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -91.14 139.24 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 84.6 mtt85 -138.0 87.11 2.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -107.87 150.32 27.2 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.781 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -161.43 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.465 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -109.16 141.57 41.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.23 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.52 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 3.2 t -119.03 161.22 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.08 149.02 51.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.681 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -139.99 91.7 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.574 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.99 131.8 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -89.03 133.07 34.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -95.35 -78.44 0.45 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -100.72 44.3 1.02 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.453 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.66 0.04 87.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -102.4 115.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 m -103.02 134.28 46.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.438 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 80.5 t80 -151.88 149.33 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -89.46 132.57 34.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.136 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 85.3 mtp180 -120.91 89.04 3.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -97.64 134.46 40.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -170.01 66.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.471 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.78 133.75 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.132 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -107.7 155.66 19.94 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -133.89 153.64 51.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 14' ' ' ARG . 18.5 ptp180 -136.57 146.69 46.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -142.84 139.28 27.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.494 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 2.3 t -137.85 123.69 20.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.69 -75.96 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.645 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -109.63 46.63 0.99 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.06 -1.18 77.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 pt -90.16 74.63 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 110.065 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m -88.71 127.77 35.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.377 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 12' ' ' CYS . 82.9 m-85 -146.04 146.59 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 95.6 mtt-85 -80.45 147.79 30.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -134.67 61.51 1.67 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.444 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.7 158.42 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.466 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -139.22 -17.07 1.04 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.45 0 O-C-N 120.19 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.444 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 32.0 t90 -167.45 147.59 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 17.7 m -80.99 163.12 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -129.3 147.66 51.15 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.434 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' SG ' ' A' ' 7' ' ' CYS . 74.2 ttp85 -148.59 136.37 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -141.91 141.58 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.063 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' SG ' ' NH1' ' A' ' 5' ' ' ARG . 34.0 m -121.29 152.26 39.11 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.35 -85.72 0.47 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -96.26 38.92 1.17 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.89 -4.77 72.12 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -101.26 117.48 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.02 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.18 128.98 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.257 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.55 137.83 41.82 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -108.56 135.2 50.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -143.74 131.04 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.02 163.06 40.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -158.35 -39.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.412 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.428 ' H2 ' ' H ' ' A' ' 2' ' ' TRP . 99.5 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.428 ' H ' ' H2 ' ' A' ' 1' ' ' LYS . 3.6 m-90 -109.89 142.86 40.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.337 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.3 m -104.74 155.88 18.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.954 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -131.95 150.89 52.03 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -149.13 138.83 21.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.6 140.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -93.75 104.9 16.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.389 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -70.1 -40.35 74.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -147.49 41.11 1.04 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.49 57.61 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.38 114.51 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.312 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 m -93.24 127.89 39.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.252 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -107.28 130.18 54.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.924 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.41 141.5 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.316 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.587 ' CZ ' HH21 ' A' ' 17' ' ' ARG . 70.7 ttt180 -141.5 128.06 20.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.51 150.31 50.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.587 HH21 ' CZ ' ' A' ' 15' ' ' ARG . 11.3 ptp85 -149.97 2.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.432 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.102 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -110.01 139.53 45.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.63 142.71 42.13 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -131.1 149.52 52.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -144.53 146.26 32.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.68 136.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.39 131.21 55.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.788 0.328 . . . . 0.0 110.184 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -92.33 -84.72 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -132.81 59.75 1.72 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 -14.07 56.5 Favored Glycine 0 N--CA 1.465 0.631 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -107.69 116.31 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.55 147.37 52.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -147.78 163.58 36.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -126.12 147.36 49.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -135.94 118.07 15.46 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.35 145.69 29.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -172.05 -96.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -110.55 138.27 47.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.6 m -128.43 142.5 51.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -140.05 153.12 46.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -142.12 133.58 26.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.587 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -146.43 140.72 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.7 m -87.78 107.19 18.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -105.6 -17.75 14.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.655 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -135.4 23.43 3.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.2 -9.31 69.87 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 11' ' ' ILE . 91.9 mt -121.01 128.23 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 12.8 m -92.47 92.36 8.04 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.367 . . . . 0.0 110.478 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 89.9 t80 -82.43 137.56 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.344 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 36.0 ptt180 -92.75 139.62 30.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.489 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.25 132.09 29.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.381 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.48 137.96 52.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.998 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -97.41 -12.34 22.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.73 137.86 43.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 m -98.54 161.22 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.218 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -130.81 149.54 52.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -142.99 93.45 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -131.13 132.68 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -98.06 132.55 43.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.184 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -95.47 -79.78 0.43 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -112.79 46.96 1.14 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.93 0.63 77.69 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 pt -96.33 72.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.254 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 m -81.12 117.29 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.15 144.98 31.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -79.3 144.2 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -132.63 123.25 26.04 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.45 160.09 42.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -168.89 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.623 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -113.36 142.97 45.23 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.313 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 33.6 t -139.31 149.54 44.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.293 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.65 111.89 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -138.41 96.15 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.291 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -129.32 132.48 66.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.24 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -94.15 128.39 40.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.038 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.8 -45.92 8.53 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.0 110.75 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -165.31 45.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.439 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -19.54 41.14 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -88.26 70.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 109.964 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.1 m -75.62 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.532 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.76 152.92 33.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.061 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -127.87 137.69 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.149 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 ttt180 -147.75 87.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -106.13 135.59 47.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -99.79 -11.21 21.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.469 ' H3 ' ' H ' ' A' ' 2' ' ' TRP . 54.6 mtpt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.469 ' H ' ' H3 ' ' A' ' 1' ' ' LYS . 94.5 m95 -107.87 133.51 52.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -108.87 162.45 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.75 144.7 51.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -154.07 143.75 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -142.33 139.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.484 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -130.52 137.92 49.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -102.51 -63.59 1.15 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.675 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -139.81 60.89 1.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.31 81.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 95.9 mt -100.06 87.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 m -104.08 139.28 39.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.616 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -122.95 154.74 37.99 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -126.54 140.47 52.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.242 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -147.77 95.34 2.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.239 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -102.55 139.51 38.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.072 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -134.48 13.56 3.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.087 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.3 m95 -110.85 140.77 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.34 149.82 42.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.429 . . . . 0.0 110.351 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.19 151.57 49.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -145.55 101.24 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.271 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.1 131.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.05 131.79 35.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -81.34 -75.93 0.27 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.659 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -145.69 59.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.96 -22.09 23.96 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -107.53 123.0 62.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 110.257 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.66 142.19 51.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -151.95 158.47 43.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -106.74 141.65 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.55 142.62 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.02 147.71 52.66 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -138.6 1.8 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.977 -1.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.5 m95 -110.37 139.2 45.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -125.28 144.64 50.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.09 73.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -114.07 80.02 1.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.173 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.38 148.63 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -94.13 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.383 178.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.26 -43.61 77.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.084 0.469 . . . . 0.0 110.218 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -159.05 51.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.83 -13.26 60.84 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -99.96 100.29 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.06 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.599 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 50.6 m -88.24 124.32 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.86 178.13 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -159.33 99.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.396 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -145.71 135.06 23.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.4 m -128.56 166.57 18.58 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -153.23 -35.64 0.11 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.553 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.466 ' CB ' ' HZ3' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -86.44 97.98 10.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.989 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -87.71 142.09 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.73 154.96 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.46 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -118.44 135.3 54.44 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -144.81 145.69 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.415 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 m -109.99 131.96 54.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -103.97 -83.53 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -94.72 40.71 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 2.76 83.59 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 11' ' ' ILE . 86.8 mt -104.73 115.1 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -101.52 132.23 47.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.28 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 66.1 t80 -146.92 152.84 39.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -86.83 139.59 30.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.353 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.06 139.99 51.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -129.8 147.39 51.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -162.95 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 120.011 -1.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' A' ' 3' ' ' CYS . 23.1 t90 -152.11 159.77 43.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 78.3 m -84.33 165.71 18.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.26 152.64 47.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -156.21 100.61 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.3 132.18 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.058 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m -89.48 146.04 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -128.86 -84.11 0.57 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -82.59 21.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.175 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.44 -14.66 56.57 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.8 mt -105.04 120.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 0.0 110.134 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.49 133.52 43.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.99 140.43 48.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -92.54 134.66 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.131 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -130.91 132.62 45.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.974 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.1 m -131.1 151.08 51.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.47 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -148.55 -33.54 0.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -146.63 144.56 29.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.28 147.43 39.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.26 143.76 44.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.06 93.1 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -134.15 136.6 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 16.0 m -85.01 108.49 17.63 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.162 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.31 -46.19 12.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.893 0.377 . . . . 0.0 110.657 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -115.88 23.32 12.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.53 -17.17 51.07 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -109.15 125.55 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.857 0.36 . . . . 0.0 110.153 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 55.9 m -90.27 125.59 35.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -113.5 137.75 51.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -88.14 110.98 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.272 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -110.22 103.41 12.09 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.262 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.49 141.25 36.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -170.77 113.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.227 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.998 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -103.5 148.47 25.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.08 152.74 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.512 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.811 HH21 ' HE ' ' A' ' 14' ' ' ARG . 42.2 ttm180 -129.5 125.58 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.047 0.451 . . . . 0.0 110.348 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.37 138.65 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.12 131.7 45.91 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.91 -82.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -90.59 36.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.32 -4.44 77.09 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.8 mt -103.26 120.92 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.402 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 m -101.24 129.53 47.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.309 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 14' ' ' ARG . 85.3 t80 -140.88 155.57 46.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.811 ' HE ' HH21 ' A' ' 5' ' ' ARG . 99.8 mtt180 -76.58 140.73 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -126.96 76.38 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.68 157.37 18.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 3' ' ' CYS . 58.0 t-105 . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 89.7 m -87.95 160.95 17.7 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.217 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -122.19 144.0 49.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -157.48 107.64 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.314 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.7 130.32 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 m -100.28 141.76 32.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.916 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.458 ' C ' ' H ' ' A' ' 10' ' ' GLY . 33.0 t80 -150.44 -65.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.438 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -75.47 22.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.757 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 83.55 -6.98 70.66 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -113.57 119.55 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.2 m -86.97 132.66 33.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.359 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -109.83 157.6 19.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NH1' ' SG ' ' A' ' 16' ' ' CYS . 73.3 ttt-85 -131.58 129.5 41.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.139 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -137.81 141.93 40.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.465 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' NH1' ' A' ' 14' ' ' ARG . 72.2 m -138.09 158.41 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.898 0.38 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 9.1 t -97.7 147.53 24.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.026 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.27 123.81 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -135.38 108.44 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.68 142.35 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.156 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 m -102.98 131.42 49.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.978 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 10' ' ' GLY . 65.4 t80 -150.32 -54.09 0.15 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.891 0.377 . . . . 0.0 110.475 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -73.47 21.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 78.44 1.0 80.81 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -125.16 128.4 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.618 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -94.2 128.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 57.8 t80 -150.61 163.67 37.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.517 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 34.3 ptt-85 -127.04 142.14 51.61 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.461 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -122.64 85.25 2.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 m -92.89 148.64 21.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.205 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.331 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.934 0.397 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.9 m -90.19 152.7 20.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.415 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.99 120.73 43.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -147.31 81.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.9 135.04 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.385 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -86.6 145.05 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.537 179.488 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -145.06 -58.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -83.61 19.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.27 -6.65 82.39 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.36 130.06 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.941 0.401 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 66.6 m -87.18 119.59 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.405 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.78 132.35 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -99.27 134.14 42.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.341 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -152.26 123.21 7.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.96 170.76 15.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.703 179.699 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 3.9 t -127.12 157.82 38.67 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -131.81 152.75 50.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 0.0 110.314 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -142.25 138.69 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.077 0.465 . . . . 0.0 110.373 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 p -145.08 139.48 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 m -109.83 131.91 54.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.52 45.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 52.14 58.96 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.05 0.452 . . . . 0.0 110.644 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.01 -42.29 1.11 Allowed Glycine 0 C--N 1.33 0.222 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.51 123.77 65.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.347 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -127.83 133.46 49.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.969 0.414 . . . . 0.0 110.633 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -159.94 167.41 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -136.75 155.24 50.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 63.4 ttm-85 -137.07 118.51 14.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.438 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 m -113.01 145.95 39.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.688 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 11.2 t -120.82 151.72 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.04 149.29 47.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -142.96 144.73 32.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.04 0.448 . . . . 0.0 110.319 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -142.86 141.7 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 m -110.97 118.82 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.384 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 74.1 m-85 -102.38 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.551 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HE ' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.42 20.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.439 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 98.22 -5.95 61.34 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -106.8 123.27 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 110.279 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.75 128.35 38.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.41 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -108.46 131.63 54.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.965 0.412 . . . . 0.0 110.158 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -91.14 139.24 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 84.6 mtt85 -138.0 87.11 2.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -107.87 150.32 27.2 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.781 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.465 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.897 0.38 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.52 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 3.2 t -119.03 161.22 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.08 149.02 51.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.681 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -139.99 91.7 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.574 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.99 131.8 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -89.03 133.07 34.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -95.35 -78.44 0.45 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -100.72 44.3 1.02 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.453 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.66 0.04 87.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -102.4 115.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 m -103.02 134.28 46.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.438 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 80.5 t80 -151.88 149.33 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -89.46 132.57 34.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.136 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 85.3 mtp180 -120.91 89.04 3.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -97.64 134.46 40.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.471 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.834 0.35 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -107.7 155.66 19.94 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -133.89 153.64 51.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 14' ' ' ARG . 18.5 ptp180 -136.57 146.69 46.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -142.84 139.28 27.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.494 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 2.3 t -137.85 123.69 20.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.69 -75.96 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.645 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -109.63 46.63 0.99 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.06 -1.18 77.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 pt -90.16 74.63 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 110.065 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m -88.71 127.77 35.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.377 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 12' ' ' CYS . 82.9 m-85 -146.04 146.59 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 95.6 mtt-85 -80.45 147.79 30.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -134.67 61.51 1.67 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.444 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.7 158.42 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.466 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 N--CA 1.466 0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.444 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 32.0 t90 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.81 0.338 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 17.7 m -80.99 163.12 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -129.3 147.66 51.15 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.434 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' SG ' ' A' ' 7' ' ' CYS . 74.2 ttp85 -148.59 136.37 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -141.91 141.58 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.063 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' SG ' ' NH1' ' A' ' 5' ' ' ARG . 34.0 m -121.29 152.26 39.11 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.35 -85.72 0.47 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -96.26 38.92 1.17 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.89 -4.77 72.12 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -101.26 117.48 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.02 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.18 128.98 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.257 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.55 137.83 41.82 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -108.56 135.2 50.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -143.74 131.04 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.02 163.06 40.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.866 0.365 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.3 m -104.74 155.88 18.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.954 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -131.95 150.89 52.03 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -149.13 138.83 21.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.6 140.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -93.75 104.9 16.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.389 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -70.1 -40.35 74.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -147.49 41.11 1.04 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.49 57.61 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.38 114.51 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.312 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 m -93.24 127.89 39.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.252 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -107.28 130.18 54.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.924 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.41 141.5 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.316 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.6 ' CZ ' HH21 ' A' ' 17' ' ' ARG . 70.7 ttt180 -141.5 128.06 20.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.51 150.31 50.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.6 HH21 ' CZ ' ' A' ' 15' ' ' ARG . 11.3 ptp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.432 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.63 142.71 42.13 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -131.1 149.52 52.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -144.53 146.26 32.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.68 136.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.39 131.21 55.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.788 0.328 . . . . 0.0 110.184 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -92.33 -84.72 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -132.81 59.75 1.72 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 -14.07 56.5 Favored Glycine 0 N--CA 1.465 0.631 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -107.69 116.31 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.55 147.37 52.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -147.78 163.58 36.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -126.12 147.36 49.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -135.94 118.07 15.46 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.35 145.69 29.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.417 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.8 m95 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.6 m -128.43 142.5 51.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -140.05 153.12 46.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -142.12 133.58 26.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.587 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -146.43 140.72 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.7 m -87.78 107.19 18.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -105.6 -17.75 14.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.655 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -135.4 23.43 3.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.2 -9.31 69.87 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.01 128.23 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 12.8 m -92.47 92.36 8.04 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.367 . . . . 0.0 110.478 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 89.9 t80 -82.43 137.56 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.344 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 36.0 ptt180 -92.75 139.62 30.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.489 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.25 132.09 29.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.381 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.48 137.96 52.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.998 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.536 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.1 m95 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 m -98.54 161.22 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.218 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -130.81 149.54 52.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -142.99 93.45 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -131.13 132.68 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -98.06 132.55 43.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.184 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -95.47 -79.78 0.43 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -112.79 46.96 1.14 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.93 0.63 77.69 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 pt -96.33 72.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.254 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 m -81.12 117.29 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.15 144.98 31.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -79.3 144.2 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -132.63 123.25 26.04 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.45 160.09 42.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.623 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.817 0.341 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 33.6 t -139.31 149.54 44.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.293 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.65 111.89 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -138.41 96.15 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.291 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -129.32 132.48 66.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.24 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -94.15 128.39 40.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.038 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.8 -45.92 8.53 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.0 110.75 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -165.31 45.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.439 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -19.54 41.14 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -88.26 70.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 109.964 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.1 m -75.62 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.532 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.76 152.92 33.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.061 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -127.87 137.69 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.149 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 ttt180 -147.75 87.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -106.13 135.59 47.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 179.777 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.697 0.284 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -108.87 162.45 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.75 144.7 51.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -154.07 143.75 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -142.33 139.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.484 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -130.52 137.92 49.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -102.51 -63.59 1.15 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.675 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -139.81 60.89 1.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.31 81.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 95.9 mt -100.06 87.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 m -104.08 139.28 39.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.616 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -122.95 154.74 37.99 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -126.54 140.47 52.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.242 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -147.77 95.34 2.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.239 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -102.55 139.51 38.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.072 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.3 m95 . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.859 0.361 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.34 149.82 42.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.429 . . . . 0.0 110.351 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.19 151.57 49.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -145.55 101.24 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.271 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.1 131.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.05 131.79 35.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -81.34 -75.93 0.27 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.659 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -145.69 59.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.96 -22.09 23.96 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -107.53 123.0 62.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 110.257 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.66 142.19 51.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -151.95 158.47 43.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -106.74 141.65 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.55 142.62 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.02 147.71 52.66 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.5 m95 . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -125.28 144.64 50.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.09 73.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -114.07 80.02 1.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.173 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.38 148.63 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -94.13 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.383 178.853 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.26 -43.61 77.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.084 0.469 . . . . 0.0 110.218 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -159.05 51.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.83 -13.26 60.84 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -99.96 100.29 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.06 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.599 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 50.6 m -88.24 124.32 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.86 178.13 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -159.33 99.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.396 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -145.71 135.06 23.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.4 m -128.56 166.57 18.58 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.553 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.1 m95 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -87.71 142.09 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.73 154.96 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.46 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -118.44 135.3 54.44 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -144.81 145.69 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.415 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 m -109.99 131.96 54.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -103.97 -83.53 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -94.72 40.71 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 2.76 83.59 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -104.73 115.1 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -101.52 132.23 47.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.28 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 66.1 t80 -146.92 152.84 39.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -86.83 139.59 30.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.353 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.06 139.99 51.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -129.8 147.39 51.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' A' ' 3' ' ' CYS . 23.1 t90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.889 0.376 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 78.3 m -84.33 165.71 18.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.26 152.64 47.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -156.21 100.61 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.3 132.18 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.058 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m -89.48 146.04 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -128.86 -84.11 0.57 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -82.59 21.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.175 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.44 -14.66 56.57 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.8 mt -105.04 120.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 0.0 110.134 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.49 133.52 43.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.99 140.43 48.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -92.54 134.66 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.131 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -130.91 132.62 45.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.974 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.1 m -131.1 151.08 51.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.47 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 -179.883 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.28 147.43 39.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.26 143.76 44.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.06 93.1 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -134.15 136.6 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 16.0 m -85.01 108.49 17.63 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.162 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.31 -46.19 12.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.893 0.377 . . . . 0.0 110.657 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -115.88 23.32 12.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.53 -17.17 51.07 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -109.15 125.55 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.857 0.36 . . . . 0.0 110.153 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 55.9 m -90.27 125.59 35.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -113.5 137.75 51.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -88.14 110.98 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.272 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -110.22 103.41 12.09 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.262 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.49 141.25 36.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.227 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -141.9 137.4 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.48 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -103.5 148.47 25.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.08 152.74 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.512 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.811 HH21 ' HE ' ' A' ' 14' ' ' ARG . 42.2 ttm180 -129.5 125.58 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.047 0.451 . . . . 0.0 110.348 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.37 138.65 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.12 131.7 45.91 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.91 -82.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -90.59 36.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.32 -4.44 77.09 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.8 mt -103.26 120.92 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.402 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 m -101.24 129.53 47.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.309 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 14' ' ' ARG . 85.3 t80 -140.88 155.57 46.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.811 ' HE ' HH21 ' A' ' 5' ' ' ARG . 99.8 mtt180 -76.58 140.73 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -126.96 76.38 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.68 157.37 18.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -162.05 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 3' ' ' CYS . 58.0 t-105 -146.35 132.42 19.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.533 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 89.7 m -87.95 160.95 17.7 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.217 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -122.19 144.0 49.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -157.48 107.64 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.314 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.7 130.32 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 m -100.28 141.76 32.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.916 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' C ' ' H ' ' A' ' 10' ' ' GLY . 33.0 t80 -150.44 -65.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.438 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -75.47 22.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.757 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 83.55 -6.98 70.66 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -113.57 119.55 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.2 m -86.97 132.66 33.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.359 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -109.83 157.6 19.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NH1' ' SG ' ' A' ' 16' ' ' CYS . 73.3 ttt-85 -131.58 129.5 41.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.139 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -137.81 141.93 40.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.465 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' NH1' ' A' ' 14' ' ' ARG . 72.2 m -138.09 158.41 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -158.3 -81.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.016 -1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -101.64 99.03 9.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 9.1 t -97.7 147.53 24.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.026 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.27 123.81 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -135.38 108.44 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.68 142.35 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.156 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 m -102.98 131.42 49.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.978 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 10' ' ' GLY . 65.4 t80 -150.32 -54.09 0.15 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.891 0.377 . . . . 0.0 110.475 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -73.47 21.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 78.44 1.0 80.81 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -125.16 128.4 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.618 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -94.2 128.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 57.8 t80 -150.61 163.67 37.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.517 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 34.3 ptt-85 -127.04 142.14 51.61 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.461 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -122.64 85.25 2.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 m -92.89 148.64 21.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.205 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -153.31 -25.04 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -156.35 121.51 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.9 m -90.19 152.7 20.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.415 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.99 120.73 43.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -147.31 81.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.9 135.04 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.385 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -86.6 145.05 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.537 179.488 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -145.06 -58.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -83.61 19.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.27 -6.65 82.39 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.36 130.06 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.941 0.401 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 66.6 m -87.18 119.59 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.405 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.78 132.35 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -99.27 134.14 42.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.341 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -152.26 123.21 7.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.96 170.76 15.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -162.45 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -109.26 142.6 39.88 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.287 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 3.9 t -127.12 157.82 38.67 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -131.81 152.75 50.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 0.0 110.314 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -142.25 138.69 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.077 0.465 . . . . 0.0 110.373 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 p -145.08 139.48 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 m -109.83 131.91 54.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.52 45.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 52.14 58.96 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.05 0.452 . . . . 0.0 110.644 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.01 -42.29 1.11 Allowed Glycine 0 C--N 1.33 0.222 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.51 123.77 65.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.347 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -127.83 133.46 49.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.969 0.414 . . . . 0.0 110.633 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -159.94 167.41 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -136.75 155.24 50.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 63.4 ttm-85 -137.07 118.51 14.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.438 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 m -113.01 145.95 39.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -169.42 36.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.5 pttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -115.78 147.07 41.37 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.36 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 11.2 t -120.82 151.72 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.04 149.29 47.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -142.96 144.73 32.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.04 0.448 . . . . 0.0 110.319 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -142.86 141.7 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 m -110.97 118.82 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.384 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 74.1 m-85 -102.38 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.551 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HE ' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.42 20.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.439 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 98.22 -5.95 61.34 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -106.8 123.27 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 110.279 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.75 128.35 38.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.41 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -108.46 131.63 54.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.965 0.412 . . . . 0.0 110.158 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -91.14 139.24 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 84.6 mtt85 -138.0 87.11 2.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -107.87 150.32 27.2 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.781 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -161.43 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.465 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -109.16 141.57 41.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.23 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.52 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 3.2 t -119.03 161.22 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.08 149.02 51.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.681 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -139.99 91.7 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.574 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.99 131.8 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -89.03 133.07 34.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -95.35 -78.44 0.45 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -100.72 44.3 1.02 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.453 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.66 0.04 87.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -102.4 115.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 m -103.02 134.28 46.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.438 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 80.5 t80 -151.88 149.33 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -89.46 132.57 34.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.136 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 85.3 mtp180 -120.91 89.04 3.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -97.64 134.46 40.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -170.01 66.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.471 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.78 133.75 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.132 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -107.7 155.66 19.94 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -133.89 153.64 51.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 14' ' ' ARG . 18.5 ptp180 -136.57 146.69 46.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -142.84 139.28 27.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.494 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 2.3 t -137.85 123.69 20.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.69 -75.96 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.645 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -109.63 46.63 0.99 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.06 -1.18 77.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 pt -90.16 74.63 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 110.065 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m -88.71 127.77 35.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.377 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 12' ' ' CYS . 82.9 m-85 -146.04 146.59 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 95.6 mtt-85 -80.45 147.79 30.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -134.67 61.51 1.67 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.444 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.7 158.42 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.466 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -139.22 -17.07 1.04 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.45 0 O-C-N 120.19 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.444 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 32.0 t90 -167.45 147.59 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 17.7 m -80.99 163.12 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -129.3 147.66 51.15 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.434 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' SG ' ' A' ' 7' ' ' CYS . 74.2 ttp85 -148.59 136.37 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -141.91 141.58 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.063 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' SG ' ' NH1' ' A' ' 5' ' ' ARG . 34.0 m -121.29 152.26 39.11 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.35 -85.72 0.47 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -96.26 38.92 1.17 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.89 -4.77 72.12 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -101.26 117.48 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.02 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.18 128.98 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.257 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.55 137.83 41.82 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -108.56 135.2 50.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -143.74 131.04 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.02 163.06 40.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -158.35 -39.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.412 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -109.89 142.86 40.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.3 m -104.74 155.88 18.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.954 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -131.95 150.89 52.03 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -149.13 138.83 21.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.6 140.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -93.75 104.9 16.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.389 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -70.1 -40.35 74.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -147.49 41.11 1.04 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.49 57.61 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.38 114.51 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.312 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 m -93.24 127.89 39.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.252 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -107.28 130.18 54.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.924 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.41 141.5 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.316 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.6 ' CZ ' HH21 ' A' ' 17' ' ' ARG . 70.7 ttt180 -141.5 128.06 20.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.51 150.31 50.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.6 HH21 ' CZ ' ' A' ' 15' ' ' ARG . 11.3 ptp85 -149.97 2.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.432 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.102 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -110.01 139.53 45.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.63 142.71 42.13 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -131.1 149.52 52.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -144.53 146.26 32.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.68 136.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.39 131.21 55.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.788 0.328 . . . . 0.0 110.184 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -92.33 -84.72 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -132.81 59.75 1.72 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 -14.07 56.5 Favored Glycine 0 N--CA 1.465 0.631 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -107.69 116.31 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.55 147.37 52.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -147.78 163.58 36.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -126.12 147.36 49.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -135.94 118.07 15.46 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.35 145.69 29.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -172.05 -96.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -110.55 138.27 47.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.6 m -128.43 142.5 51.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -140.05 153.12 46.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -142.12 133.58 26.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.587 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -146.43 140.72 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.7 m -87.78 107.19 18.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -105.6 -17.75 14.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.655 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -135.4 23.43 3.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.2 -9.31 69.87 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.01 128.23 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 12.8 m -92.47 92.36 8.04 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.367 . . . . 0.0 110.478 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 89.9 t80 -82.43 137.56 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.344 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 36.0 ptt180 -92.75 139.62 30.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.489 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.25 132.09 29.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.381 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.48 137.96 52.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.998 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -97.41 -12.34 22.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.73 137.86 43.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 m -98.54 161.22 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.218 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -130.81 149.54 52.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -142.99 93.45 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -131.13 132.68 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -98.06 132.55 43.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.184 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -95.47 -79.78 0.43 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -112.79 46.96 1.14 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.93 0.63 77.69 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 pt -96.33 72.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.254 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 m -81.12 117.29 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.15 144.98 31.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -79.3 144.2 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -132.63 123.25 26.04 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.45 160.09 42.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -168.89 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.623 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -113.36 142.97 45.23 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.313 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 33.6 t -139.31 149.54 44.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.293 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.65 111.89 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -138.41 96.15 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.291 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -129.32 132.48 66.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.24 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -94.15 128.39 40.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.038 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.8 -45.92 8.53 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.0 110.75 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -165.31 45.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.439 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -19.54 41.14 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -88.26 70.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 109.964 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.1 m -75.62 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.532 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.76 152.92 33.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.061 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -127.87 137.69 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.149 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 ttt180 -147.75 87.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -106.13 135.59 47.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -99.79 -11.21 21.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -107.87 133.51 52.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -108.87 162.45 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.75 144.7 51.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -154.07 143.75 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -142.33 139.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.484 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -130.52 137.92 49.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -102.51 -63.59 1.15 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.675 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -139.81 60.89 1.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.31 81.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 95.9 mt -100.06 87.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 m -104.08 139.28 39.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.616 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -122.95 154.74 37.99 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -126.54 140.47 52.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.242 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -147.77 95.34 2.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.239 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -102.55 139.51 38.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.072 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -134.48 13.56 3.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.087 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.3 m95 -110.85 140.77 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.34 149.82 42.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.429 . . . . 0.0 110.351 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.19 151.57 49.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -145.55 101.24 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.271 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.1 131.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.05 131.79 35.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -81.34 -75.93 0.27 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.659 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -145.69 59.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.96 -22.09 23.96 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -107.53 123.0 62.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 110.257 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.66 142.19 51.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -151.95 158.47 43.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -106.74 141.65 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.55 142.62 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.02 147.71 52.66 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -138.6 1.8 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.977 -1.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.5 m95 -110.37 139.2 45.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -125.28 144.64 50.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.09 73.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -114.07 80.02 1.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.173 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.38 148.63 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -94.13 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.383 178.853 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.26 -43.61 77.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.084 0.469 . . . . 0.0 110.218 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -159.05 51.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.83 -13.26 60.84 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -99.96 100.29 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.06 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.599 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 50.6 m -88.24 124.32 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.86 178.13 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -159.33 99.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.396 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -145.71 135.06 23.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.4 m -128.56 166.57 18.58 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -153.23 -35.64 0.11 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.553 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.467 ' HZ2' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -86.44 97.98 10.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.989 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -87.71 142.09 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.73 154.96 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.46 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -118.44 135.3 54.44 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -144.81 145.69 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.415 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 m -109.99 131.96 54.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -103.97 -83.53 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -94.72 40.71 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 2.76 83.59 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -104.73 115.1 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -101.52 132.23 47.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.28 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 66.1 t80 -146.92 152.84 39.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -86.83 139.59 30.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.353 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.06 139.99 51.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -129.8 147.39 51.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -162.95 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 120.011 -1.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' A' ' 3' ' ' CYS . 23.1 t90 -152.11 159.77 43.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 78.3 m -84.33 165.71 18.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.26 152.64 47.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -156.21 100.61 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.3 132.18 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.058 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m -89.48 146.04 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -128.86 -84.11 0.57 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -82.59 21.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.175 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.44 -14.66 56.57 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.8 mt -105.04 120.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 0.0 110.134 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.49 133.52 43.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.99 140.43 48.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -92.54 134.66 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.131 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -130.91 132.62 45.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.974 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.1 m -131.1 151.08 51.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.47 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -148.55 -33.54 0.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -146.63 144.56 29.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.28 147.43 39.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.26 143.76 44.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.06 93.1 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -134.15 136.6 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 16.0 m -85.01 108.49 17.63 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.162 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.31 -46.19 12.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.893 0.377 . . . . 0.0 110.657 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -115.88 23.32 12.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.53 -17.17 51.07 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -109.15 125.55 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.857 0.36 . . . . 0.0 110.153 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 55.9 m -90.27 125.59 35.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -113.5 137.75 51.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -88.14 110.98 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.272 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -110.22 103.41 12.09 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.262 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.49 141.25 36.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -170.77 113.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.227 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.998 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 N--CA 1.462 0.167 0 CA-C-O 120.887 0.375 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -103.5 148.47 25.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.08 152.74 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.512 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.811 HH21 ' HE ' ' A' ' 14' ' ' ARG . 42.2 ttm180 -129.5 125.58 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.047 0.451 . . . . 0.0 110.348 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.37 138.65 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.12 131.7 45.91 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.91 -82.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -90.59 36.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.32 -4.44 77.09 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.8 mt -103.26 120.92 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.402 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 m -101.24 129.53 47.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.309 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 14' ' ' ARG . 85.3 t80 -140.88 155.57 46.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.811 ' HE ' HH21 ' A' ' 5' ' ' ARG . 99.8 mtt180 -76.58 140.73 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -126.96 76.38 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.68 157.37 18.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.621 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 3' ' ' CYS . 58.0 t-105 . . . . . 0 N--CA 1.46 0.071 0 CA-C-O 120.852 0.358 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 89.7 m -87.95 160.95 17.7 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.217 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -122.19 144.0 49.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -157.48 107.64 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.314 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.7 130.32 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 m -100.28 141.76 32.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.916 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.458 ' C ' ' H ' ' A' ' 10' ' ' GLY . 33.0 t80 -150.44 -65.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.438 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -75.47 22.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.757 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 83.55 -6.98 70.66 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -113.57 119.55 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.2 m -86.97 132.66 33.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.359 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -109.83 157.6 19.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NH1' ' SG ' ' A' ' 16' ' ' CYS . 73.3 ttt-85 -131.58 129.5 41.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.139 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -137.81 141.93 40.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.465 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' NH1' ' A' ' 14' ' ' ARG . 72.2 m -138.09 158.41 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 . . . . . 0 N--CA 1.463 0.221 0 CA-C-O 120.898 0.38 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 9.1 t -97.7 147.53 24.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.026 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.27 123.81 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -135.38 108.44 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.68 142.35 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.156 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 m -102.98 131.42 49.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.978 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 10' ' ' GLY . 65.4 t80 -150.32 -54.09 0.15 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.891 0.377 . . . . 0.0 110.475 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -73.47 21.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 78.44 1.0 80.81 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -125.16 128.4 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.618 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -94.2 128.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 57.8 t80 -150.61 163.67 37.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.517 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 34.3 ptt-85 -127.04 142.14 51.61 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.461 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -122.64 85.25 2.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 m -92.89 148.64 21.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.205 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.331 -179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.934 0.397 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.9 m -90.19 152.7 20.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.415 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.99 120.73 43.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -147.31 81.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.9 135.04 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.385 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -86.6 145.05 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.537 179.488 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -145.06 -58.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -83.61 19.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.27 -6.65 82.39 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.36 130.06 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.941 0.401 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 66.6 m -87.18 119.59 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.405 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.78 132.35 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -99.27 134.14 42.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.341 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -152.26 123.21 7.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.96 170.76 15.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.703 179.699 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 3.9 t -127.12 157.82 38.67 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -131.81 152.75 50.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 0.0 110.314 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -142.25 138.69 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.077 0.465 . . . . 0.0 110.373 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 p -145.08 139.48 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 m -109.83 131.91 54.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.52 45.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 52.14 58.96 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.05 0.452 . . . . 0.0 110.644 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.01 -42.29 1.11 Allowed Glycine 0 C--N 1.33 0.222 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.51 123.77 65.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.347 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -127.83 133.46 49.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.969 0.414 . . . . 0.0 110.633 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -159.94 167.41 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -136.75 155.24 50.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.464 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 63.4 ttm-85 -137.07 118.51 14.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.438 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 m -113.01 145.95 39.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.688 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.871 0.367 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 11.2 t -120.82 151.72 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.04 149.29 47.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -142.96 144.73 32.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.04 0.448 . . . . 0.0 110.319 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -142.86 141.7 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 m -110.97 118.82 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.384 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 74.1 m-85 -102.38 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.551 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HE ' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.42 20.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.439 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 98.22 -5.95 61.34 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -106.8 123.27 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 110.279 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.75 128.35 38.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.41 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -108.46 131.63 54.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.965 0.412 . . . . 0.0 110.158 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -91.14 139.24 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 84.6 mtt85 -138.0 87.11 2.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -107.87 150.32 27.2 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.781 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.465 179.774 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.897 0.38 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.52 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 3.2 t -119.03 161.22 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.08 149.02 51.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.681 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -139.99 91.7 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.574 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.99 131.8 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -89.03 133.07 34.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -95.35 -78.44 0.45 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -100.72 44.3 1.02 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.453 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.66 0.04 87.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -102.4 115.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 m -103.02 134.28 46.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.438 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 80.5 t80 -151.88 149.33 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -89.46 132.57 34.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.136 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 85.3 mtp180 -120.91 89.04 3.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -97.64 134.46 40.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.471 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 . . . . . 0 N--CA 1.466 0.334 0 CA-C-O 120.834 0.35 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -107.7 155.66 19.94 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -133.89 153.64 51.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 14' ' ' ARG . 18.5 ptp180 -136.57 146.69 46.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -142.84 139.28 27.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.494 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 2.3 t -137.85 123.69 20.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.69 -75.96 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.645 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -109.63 46.63 0.99 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.06 -1.18 77.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 pt -90.16 74.63 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 110.065 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m -88.71 127.77 35.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.377 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 12' ' ' CYS . 82.9 m-85 -146.04 146.59 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 95.6 mtt-85 -80.45 147.79 30.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -134.67 61.51 1.67 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.444 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.7 158.42 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.466 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 N--CA 1.466 0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 -179.697 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.444 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 32.0 t90 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.81 0.338 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 17.7 m -80.99 163.12 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -129.3 147.66 51.15 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.434 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' SG ' ' A' ' 7' ' ' CYS . 74.2 ttp85 -148.59 136.37 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -141.91 141.58 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.063 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.424 ' SG ' ' NH1' ' A' ' 5' ' ' ARG . 34.0 m -121.29 152.26 39.11 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.35 -85.72 0.47 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -96.26 38.92 1.17 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.89 -4.77 72.12 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -101.26 117.48 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.02 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.18 128.98 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.257 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.55 137.83 41.82 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -108.56 135.2 50.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -143.74 131.04 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.02 163.06 40.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.866 0.365 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.3 m -104.74 155.88 18.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.954 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -131.95 150.89 52.03 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -149.13 138.83 21.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.6 140.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -93.75 104.9 16.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.389 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -70.1 -40.35 74.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -147.49 41.11 1.04 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.49 57.61 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.38 114.51 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.312 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 m -93.24 127.89 39.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.252 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -107.28 130.18 54.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.924 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.41 141.5 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.316 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.6 ' CZ ' HH21 ' A' ' 17' ' ' ARG . 70.7 ttt180 -141.5 128.06 20.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.51 150.31 50.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.6 HH21 ' CZ ' ' A' ' 15' ' ' ARG . 11.3 ptp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.432 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 N--CA 1.464 0.254 0 CA-C-O 120.731 0.3 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.63 142.71 42.13 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -131.1 149.52 52.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -144.53 146.26 32.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.68 136.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.39 131.21 55.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.788 0.328 . . . . 0.0 110.184 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -92.33 -84.72 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -132.81 59.75 1.72 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 -14.07 56.5 Favored Glycine 0 N--CA 1.465 0.631 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -107.69 116.31 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.55 147.37 52.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -147.78 163.58 36.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -126.12 147.36 49.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -135.94 118.07 15.46 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.35 145.69 29.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.417 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.8 m95 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.6 m -128.43 142.5 51.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -140.05 153.12 46.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -142.12 133.58 26.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.587 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -146.43 140.72 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.7 m -87.78 107.19 18.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -105.6 -17.75 14.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.655 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -135.4 23.43 3.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.2 -9.31 69.87 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.01 128.23 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 12.8 m -92.47 92.36 8.04 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.367 . . . . 0.0 110.478 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 89.9 t80 -82.43 137.56 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.344 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 36.0 ptt180 -92.75 139.62 30.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.489 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.25 132.09 29.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.381 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.48 137.96 52.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.998 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.536 -179.859 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.1 m95 . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 m -98.54 161.22 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.218 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -130.81 149.54 52.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -142.99 93.45 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -131.13 132.68 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -98.06 132.55 43.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.184 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -95.47 -79.78 0.43 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -112.79 46.96 1.14 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.93 0.63 77.69 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 pt -96.33 72.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.254 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 m -81.12 117.29 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.15 144.98 31.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -79.3 144.2 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -132.63 123.25 26.04 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.45 160.09 42.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.623 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 . . . . . 0 N--CA 1.464 0.233 0 CA-C-O 120.817 0.341 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 33.6 t -139.31 149.54 44.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.293 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.65 111.89 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -138.41 96.15 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.291 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -129.32 132.48 66.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.24 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -94.15 128.39 40.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.038 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.8 -45.92 8.53 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.0 110.75 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -165.31 45.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.439 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -19.54 41.14 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -88.26 70.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 109.964 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.1 m -75.62 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.532 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.76 152.92 33.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.061 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -127.87 137.69 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.149 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 ttt180 -147.75 87.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -106.13 135.59 47.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 179.777 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.697 0.284 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -108.87 162.45 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.75 144.7 51.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -154.07 143.75 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -142.33 139.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.484 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -130.52 137.92 49.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -102.51 -63.59 1.15 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.675 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -139.81 60.89 1.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.31 81.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 95.9 mt -100.06 87.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 m -104.08 139.28 39.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.616 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -122.95 154.74 37.99 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -126.54 140.47 52.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.242 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -147.77 95.34 2.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.239 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -102.55 139.51 38.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.072 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 -179.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.3 m95 . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.859 0.361 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.34 149.82 42.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.429 . . . . 0.0 110.351 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.19 151.57 49.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -145.55 101.24 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.271 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.1 131.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.05 131.79 35.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -81.34 -75.93 0.27 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.659 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -145.69 59.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.96 -22.09 23.96 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -107.53 123.0 62.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 110.257 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.66 142.19 51.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -151.95 158.47 43.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -106.74 141.65 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.55 142.62 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.02 147.71 52.66 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.5 m95 . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -125.28 144.64 50.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.09 73.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -114.07 80.02 1.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.173 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.38 148.63 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -94.13 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.383 178.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.26 -43.61 77.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.084 0.469 . . . . 0.0 110.218 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -159.05 51.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.83 -13.26 60.84 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -99.96 100.29 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.06 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.599 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 50.6 m -88.24 124.32 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.86 178.13 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -159.33 99.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.396 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -145.71 135.06 23.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.4 m -128.56 166.57 18.58 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.553 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.1 m95 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -87.71 142.09 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.73 154.96 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.46 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -118.44 135.3 54.44 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -144.81 145.69 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.415 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 m -109.99 131.96 54.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -103.97 -83.53 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -94.72 40.71 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 2.76 83.59 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -104.73 115.1 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -101.52 132.23 47.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.28 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 66.1 t80 -146.92 152.84 39.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -86.83 139.59 30.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.353 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.06 139.99 51.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -129.8 147.39 51.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 179.849 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' A' ' 3' ' ' CYS . 23.1 t90 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.889 0.376 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 78.3 m -84.33 165.71 18.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.26 152.64 47.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -156.21 100.61 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.3 132.18 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.058 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m -89.48 146.04 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -128.86 -84.11 0.57 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -82.59 21.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.175 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.44 -14.66 56.57 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.8 mt -105.04 120.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 0.0 110.134 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.49 133.52 43.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.99 140.43 48.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -92.54 134.66 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.131 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -130.91 132.62 45.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.974 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.1 m -131.1 151.08 51.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.47 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 -179.883 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.804 0.335 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.28 147.43 39.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.26 143.76 44.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.06 93.1 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -134.15 136.6 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 16.0 m -85.01 108.49 17.63 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.162 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.31 -46.19 12.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.893 0.377 . . . . 0.0 110.657 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -115.88 23.32 12.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.53 -17.17 51.07 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -109.15 125.55 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.857 0.36 . . . . 0.0 110.153 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 55.9 m -90.27 125.59 35.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -113.5 137.75 51.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -88.14 110.98 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.272 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -110.22 103.41 12.09 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.262 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.49 141.25 36.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.227 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -141.9 137.4 31.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.48 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -103.5 148.47 25.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.423 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -135.08 152.74 51.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.512 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.811 HH21 ' HE ' ' A' ' 14' ' ' ARG . 42.2 ttm180 -129.5 125.58 36.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.047 0.451 . . . . 0.0 110.348 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.7 p -140.37 138.65 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -100.12 131.7 45.91 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.326 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -102.91 -82.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.457 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -90.59 36.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.571 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.32 -4.44 77.09 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.8 mt -103.26 120.92 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.402 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 m -101.24 129.53 47.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.309 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' CD2' ' O ' ' A' ' 14' ' ' ARG . 85.3 t80 -140.88 155.57 46.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.406 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.811 ' HE ' HH21 ' A' ' 5' ' ' ARG . 99.8 mtt180 -76.58 140.73 41.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.304 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -126.96 76.38 1.65 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -107.68 157.37 18.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.555 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -162.05 -36.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.671 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.029 -1.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 3' ' ' CYS . 58.0 t-105 -146.35 132.42 19.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.533 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CD1' ' A' ' 2' ' ' TRP . 89.7 m -87.95 160.95 17.7 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.217 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -122.19 144.0 49.23 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -157.48 107.64 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.314 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.7 130.32 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 m -100.28 141.76 32.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.916 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.458 ' C ' ' H ' ' A' ' 10' ' ' GLY . 33.0 t80 -150.44 -65.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.438 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -75.47 22.82 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.757 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 83.55 -6.98 70.66 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.0 mt -113.57 119.55 61.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.341 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.2 m -86.97 132.66 33.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.359 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -109.83 157.6 19.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.684 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' NH1' ' SG ' ' A' ' 16' ' ' CYS . 73.3 ttt-85 -131.58 129.5 41.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.139 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -137.81 141.93 40.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.465 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' NH1' ' A' ' 14' ' ' ARG . 72.2 m -138.09 158.41 44.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.476 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -158.3 -81.44 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.4 0 O-C-N 120.016 -1.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -101.64 99.03 9.26 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.647 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 9.1 t -97.7 147.53 24.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.026 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -110.27 123.81 50.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -135.38 108.44 7.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.288 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 p -145.68 142.35 21.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.156 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 m -102.98 131.42 49.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.978 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 10' ' ' GLY . 65.4 t80 -150.32 -54.09 0.15 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.891 0.377 . . . . 0.0 110.475 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -73.47 21.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 78.44 1.0 80.81 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.2 mt -125.16 128.4 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.819 0.342 . . . . 0.0 110.618 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.8 m -94.2 128.22 40.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.184 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 57.8 t80 -150.61 163.67 37.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.517 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 34.3 ptt-85 -127.04 142.14 51.61 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.461 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -122.64 85.25 2.39 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.155 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 4.2 m -92.89 148.64 21.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.205 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -153.31 -25.04 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.331 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -156.35 121.51 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.567 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.9 m -90.19 152.7 20.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.415 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -109.99 120.73 43.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 110.533 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -147.31 81.07 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.314 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.6 t -125.9 135.04 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.988 0.423 . . . . 0.0 110.385 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -86.6 145.05 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.537 179.488 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -145.06 -58.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.523 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -83.61 19.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.528 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.27 -6.65 82.39 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.691 -0.964 . . . . 0.0 110.691 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.36 130.06 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 120.941 0.401 . . . . 0.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 66.6 m -87.18 119.59 27.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.405 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -104.78 132.35 51.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -99.27 134.14 42.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.341 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -152.26 123.21 7.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.3 t -144.96 170.76 15.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.575 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -162.45 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.703 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.506 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -109.26 142.6 39.88 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.287 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 3.9 t -127.12 157.82 38.67 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.503 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -131.81 152.75 50.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 0.0 110.314 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -142.25 138.69 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.077 0.465 . . . . 0.0 110.373 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 p -145.08 139.48 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.317 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.2 m -109.83 131.91 54.63 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.972 0.415 . . . . 0.0 110.663 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -101.52 45.56 0.96 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.496 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 52.14 58.96 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.05 0.452 . . . . 0.0 110.644 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.01 -42.29 1.11 Allowed Glycine 0 C--N 1.33 0.222 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.51 123.77 65.67 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.347 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 94.0 m -127.83 133.46 49.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.969 0.414 . . . . 0.0 110.633 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -159.94 167.41 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.471 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ptt-85 -136.75 155.24 50.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 63.4 ttm-85 -137.07 118.51 14.74 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.995 0.426 . . . . 0.0 110.438 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 m -113.01 145.95 39.95 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -169.42 36.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.688 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.043 -1.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.5 pttt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -115.78 147.07 41.37 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.36 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 11.2 t -120.82 151.72 39.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.372 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.04 149.29 47.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.338 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -142.96 144.73 32.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.04 0.448 . . . . 0.0 110.319 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -142.86 141.7 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.314 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 m -110.97 118.82 37.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.384 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' C ' ' HE ' ' A' ' 9' ' ' ARG . 74.1 m-85 -102.38 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.551 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.575 ' HE ' ' C ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.42 20.84 0.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.439 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 8' ' ' TYR . . . 98.22 -5.95 61.34 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -106.8 123.27 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 110.279 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 m -92.75 128.35 38.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.41 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -108.46 131.63 54.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.965 0.412 . . . . 0.0 110.158 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -91.14 139.24 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.313 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 84.6 mtt85 -138.0 87.11 2.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.38 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.7 m -107.87 150.32 27.2 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.781 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -161.43 -90.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.465 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.2 mttp . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -109.16 141.57 41.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.23 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.52 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 3.2 t -119.03 161.22 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.055 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.08 149.02 51.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.681 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 73.4 ttp85 -139.99 91.7 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.574 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.6 t -123.99 131.8 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.5 m -89.03 133.07 34.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -95.35 -78.44 0.45 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 110.512 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -100.72 44.3 1.02 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.453 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.66 0.04 87.98 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.7 mt -102.4 115.64 44.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 m -103.02 134.28 46.72 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.438 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 80.5 t80 -151.88 149.33 28.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.323 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -89.46 132.57 34.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.136 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 85.3 mtp180 -120.91 89.04 3.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.307 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' N ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -97.64 134.46 40.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.252 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -170.01 66.6 0.05 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.471 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.427 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -122.78 133.75 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.132 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.6 m -107.7 155.66 19.94 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.4 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -133.89 153.64 51.61 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 14' ' ' ARG . 18.5 ptp180 -136.57 146.69 46.42 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.393 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 p -142.84 139.28 27.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.494 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 2.3 t -137.85 123.69 20.03 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.452 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -96.69 -75.96 0.52 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.645 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -109.63 46.63 0.99 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.06 -1.18 77.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.5 pt -90.16 74.63 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.009 0.433 . . . . 0.0 110.065 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.615 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.3 m -88.71 127.77 35.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.377 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 12' ' ' CYS . 82.9 m-85 -146.04 146.59 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.618 ' NH2' ' NH2' ' A' ' 5' ' ' ARG . 95.6 mtt-85 -80.45 147.79 30.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -134.67 61.51 1.67 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.444 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 t -89.7 158.42 17.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.466 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 -139.22 -17.07 1.04 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.45 0 O-C-N 120.19 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.444 ' CD2' ' O ' ' A' ' 3' ' ' CYS . 32.0 t90 -167.45 147.59 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.444 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 17.7 m -80.99 163.12 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -129.3 147.66 51.15 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.434 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' NH1' ' SG ' ' A' ' 7' ' ' CYS . 74.2 ttp85 -148.59 136.37 20.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.362 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -141.91 141.58 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.063 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.424 ' SG ' ' NH1' ' A' ' 5' ' ' ARG . 34.0 m -121.29 152.26 39.11 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.35 -85.72 0.47 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.393 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -96.26 38.92 1.17 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.89 -4.77 72.12 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.7 mt -101.26 117.48 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-O 120.909 0.385 . . . . 0.0 110.02 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.18 128.98 54.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.257 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -104.55 137.83 41.82 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.081 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -108.56 135.2 50.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.546 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -143.74 131.04 20.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.405 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -156.02 163.06 40.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.514 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -158.35 -39.47 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.412 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -109.89 142.86 40.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.337 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.3 m -104.74 155.88 18.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.954 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -131.95 150.89 52.03 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.382 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -149.13 138.83 21.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.437 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 p -145.6 140.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.341 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -93.75 104.9 16.97 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.389 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -70.1 -40.35 74.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.351 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -147.49 41.11 1.04 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.66 -16.49 57.61 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.38 114.51 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.312 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.6 m -93.24 127.89 39.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.252 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -107.28 130.18 54.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.924 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -83.41 141.5 31.67 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.316 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.6 ' CZ ' HH21 ' A' ' 17' ' ' ARG . 70.7 ttt180 -141.5 128.06 20.17 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.337 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 65.0 m -129.51 150.31 50.91 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.238 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.6 HH21 ' CZ ' ' A' ' 15' ' ' ARG . 11.3 ptp85 -149.97 2.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.432 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.102 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -110.01 139.53 45.02 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.243 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.63 142.71 42.13 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.364 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -131.1 149.52 52.56 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.498 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -144.53 146.26 32.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.68 136.37 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.7 m -110.39 131.21 55.25 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.788 0.328 . . . . 0.0 110.184 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -92.33 -84.72 0.27 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -132.81 59.75 1.72 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 -14.07 56.5 Favored Glycine 0 N--CA 1.465 0.631 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.7 mt -107.69 116.31 50.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.55 147.37 52.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.393 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -147.78 163.58 36.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.482 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -126.12 147.36 49.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.206 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -135.94 118.07 15.46 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.0 m -102.35 145.69 29.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.497 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -172.05 -96.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.051 -1.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -110.55 138.27 47.16 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.6 m -128.43 142.5 51.08 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -140.05 153.12 46.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -142.12 133.58 26.59 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.96 0.41 . . . . 0.0 110.587 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -146.43 140.72 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 30.7 m -87.78 107.19 18.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.29 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -105.6 -17.75 14.31 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.655 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -135.4 23.43 3.45 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.2 -9.31 69.87 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.01 128.23 76.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 7' ' ' CYS . 12.8 m -92.47 92.36 8.04 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.872 0.367 . . . . 0.0 110.478 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 89.9 t80 -82.43 137.56 34.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.344 179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 36.0 ptt180 -92.75 139.62 30.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.489 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.25 132.09 29.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.381 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.3 m -118.48 137.96 52.83 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.998 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -97.41 -12.34 22.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -106.73 137.86 43.97 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 m -98.54 161.22 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.218 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -130.81 149.54 52.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.625 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -142.99 93.45 2.51 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.365 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.2 t -131.13 132.68 63.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.155 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.589 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -98.06 132.55 43.51 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.184 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -95.47 -79.78 0.43 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.76 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -112.79 46.96 1.14 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.427 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.93 0.63 77.69 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 pt -96.33 72.46 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.254 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.589 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.6 m -81.12 117.29 21.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.427 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -145.15 144.98 31.18 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.649 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -79.3 144.2 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -132.63 123.25 26.04 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.061 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.45 160.09 42.11 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.503 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -168.89 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.623 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -113.36 142.97 45.23 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.313 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' SG ' ' C ' ' A' ' 15' ' ' ARG . 33.6 t -139.31 149.54 44.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.293 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.65 111.89 24.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -138.41 96.15 3.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.291 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.2 t -129.32 132.48 66.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.24 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 65.3 m -94.15 128.39 40.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.038 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.8 -45.92 8.53 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.0 110.75 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -165.31 45.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.439 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.8 -19.54 41.14 Favored Glycine 0 N--CA 1.465 0.61 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 pt -88.26 70.59 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.978 0.418 . . . . 0.0 109.964 179.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.1 m -75.62 125.0 28.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.532 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -116.76 152.92 33.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.061 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -127.87 137.69 52.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.149 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 77.4 ttt180 -147.75 87.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -106.13 135.59 47.32 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -99.79 -11.21 21.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.522 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -107.87 133.51 52.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 t -108.87 162.45 14.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -128.75 144.7 51.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.989 0.423 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -154.07 143.75 21.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.621 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.5 p -142.33 139.09 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.484 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 1.7 t -130.52 137.92 49.96 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -102.51 -63.59 1.15 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.675 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -139.81 60.89 1.55 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.864 0.364 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.31 81.67 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' C ' ' SG ' ' A' ' 7' ' ' CYS . 95.9 mt -100.06 87.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.2 m -104.08 139.28 39.39 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 110.616 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -122.95 154.74 37.99 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -126.54 140.47 52.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.242 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -147.77 95.34 2.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.239 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.6 m -102.55 139.51 38.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.072 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.7 mtp85 -134.48 13.56 3.78 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.425 0 O-C-N 120.087 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.3 m95 -110.85 140.77 45.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.34 149.82 42.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.002 0.429 . . . . 0.0 110.351 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.19 151.57 49.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.363 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -145.55 101.24 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.271 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -128.1 131.7 69.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.546 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -90.05 131.79 35.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -81.34 -75.93 0.27 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.659 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -145.69 59.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.96 -22.09 23.96 Favored Glycine 0 N--CA 1.464 0.523 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 87.2 mt -107.53 123.0 62.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.879 0.371 . . . . 0.0 110.257 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.66 142.19 51.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.526 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -151.95 158.47 43.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.502 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -106.74 141.65 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -139.55 142.62 37.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.373 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.1 m -131.02 147.71 52.66 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -138.6 1.8 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.475 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.977 -1.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 23.5 m95 -110.37 139.2 45.81 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.297 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -125.28 144.64 50.38 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -100.09 73.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.365 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -114.07 80.02 1.33 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.173 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -143.38 148.63 18.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.618 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.599 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -94.13 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.383 178.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -68.26 -43.61 77.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.084 0.469 . . . . 0.0 110.218 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.2 ptt-85 -159.05 51.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.83 -13.26 60.84 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 90.9 mt -99.96 100.29 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.06 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.599 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 50.6 m -88.24 124.32 33.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.5 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -97.86 178.13 5.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.317 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -159.33 99.01 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.396 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.6 ttp85 -145.71 135.06 23.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.382 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.4 m -128.56 166.57 18.58 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.516 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -153.23 -35.64 0.11 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.553 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 119.99 -1.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.467 ' HZ2' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -86.44 97.98 10.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.989 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 76.8 m -87.71 142.09 28.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.73 154.96 50.57 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.46 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -118.44 135.3 54.44 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.352 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 p -144.81 145.69 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.415 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 m -109.99 131.96 54.59 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -103.97 -83.53 0.49 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -94.72 40.71 1.09 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.134 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.99 2.76 83.59 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt -104.73 115.1 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -101.52 132.23 47.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.28 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.502 ' CE2' ' O ' ' A' ' 14' ' ' ARG . 66.1 t80 -146.92 152.84 39.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.874 0.369 . . . . 0.0 110.576 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 99.8 mtt180 -86.83 139.59 30.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.353 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -129.06 139.99 51.79 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.0 m -129.8 147.39 51.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -162.95 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 120.011 -1.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.3 tttp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' A' ' 3' ' ' CYS . 23.1 t90 -152.11 159.77 43.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.519 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.527 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 78.3 m -84.33 165.71 18.03 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.411 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -127.26 152.64 47.15 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -156.21 100.61 2.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -122.3 132.18 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 121.041 0.448 . . . . 0.0 110.058 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.4 m -89.48 146.04 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.045 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -128.86 -84.11 0.57 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.585 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 48.8 mmm-85 -82.59 21.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.175 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.44 -14.66 56.57 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.8 mt -105.04 120.72 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 0.0 110.134 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.49 133.52 43.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -113.99 140.43 48.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.324 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -92.54 134.66 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.131 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -130.91 132.62 45.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.974 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 79.1 m -131.1 151.08 51.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.47 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -148.55 -33.54 0.23 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.426 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -146.63 144.56 29.6 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.314 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.0 m -114.28 147.43 39.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.376 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.26 143.76 44.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -143.06 93.1 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.321 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -134.15 136.6 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.667 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.582 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 16.0 m -85.01 108.49 17.63 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.162 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -84.31 -46.19 12.04 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.893 0.377 . . . . 0.0 110.657 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -115.88 23.32 12.34 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.53 -17.17 51.07 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.0 mt -109.15 125.55 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.857 0.36 . . . . 0.0 110.153 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 55.9 m -90.27 125.59 35.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.39 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -113.5 137.75 51.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.914 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -88.14 110.98 21.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.272 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -110.22 103.41 12.09 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.262 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.9 m -103.49 141.25 36.31 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.473 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -170.77 113.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.227 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.998 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_