data_7k1q_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 7k1q _Structure_validation_residue.Date_analyzed 2020-11-27 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 full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.5 m95 . . . . . 0 CA--C 1.492 -1.277 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -62.12 -48.26 80.94 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.749 . . 62.64 62.78 1.06 Allowed 'General case' 0 N--CA 1.423 -1.81 0 C-N-CA 130.673 3.589 . . . . 0.0 119.297 165.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.279 11.8 mm100 72.54 54.89 0.15 Allowed 'General case' 0 CA--C 1.486 -1.519 0 C-N-CA 130.403 3.481 . . . . 0.0 104.866 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.99 95.49 1.98 Allowed 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 127.273 3.416 . . . . 0.0 109.86 -171.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.67 -8.56 13.78 Favored 'General case' 0 CA--C 1.488 -1.427 1 CA-C-O 128.839 4.161 . . . . 0.0 112.918 165.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -150.01 134.87 9.56 Favored Pre-proline 0 N--CA 1.428 -1.548 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 133.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.24 -11.56 31.81 Favored 'Trans proline' 0 N--CA 1.431 -2.156 0 N-CA-C 119.514 2.852 . . . . 0.0 119.514 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.5 43.25 1.26 Allowed Glycine 0 N--CA 1.43 -1.721 0 N-CA-C 107.455 -2.258 . . . . 0.0 107.455 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.46 0.1 OUTLIER -63.16 -47.43 82.7 Favored 'General case' 0 N--CA 1.423 -1.801 1 N-CA-C 126.592 5.775 . . . . 0.0 126.592 -158.438 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 m -82.76 155.98 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 1 O-C-N 113.997 -5.439 . . . . 0.0 112.147 35.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.25 . . -113.19 15.38 19.42 Favored 'General case' 0 CA--C 1.484 -1.569 0 O-C-N 119.435 -2.041 . . . . 0.0 108.213 162.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.19 0.86 62.28 Favored Glycine 0 CA--C 1.484 -1.892 1 CA-C-O 129.396 4.887 . . . . 0.0 113.357 163.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.425 4.8 p -71.37 -42.11 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 116.105 -4.173 . . . . 0.0 114.438 170.69 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.73 -39.62 8.56 Favored 'General case' 0 N--CA 1.429 -1.501 1 C-N-CA 136.648 5.979 . . . . 0.0 112.36 37.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -144.99 157.8 44.01 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 112.43 -2.168 . . . . 0.0 113.026 -170.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 m -75.82 -42.31 50.21 Favored 'General case' 0 N--CA 1.428 -1.539 1 O-C-N 115.926 -4.234 . . . . 0.0 110.935 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -133.82 138.59 45.75 Favored 'General case' 0 CA--C 1.491 -1.297 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 166.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.3 pt -123.47 135.85 61.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 N-CA-C 101.355 -3.572 . . . . 0.0 101.355 -167.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.312 5.8 tp60 -99.98 -8.89 23.35 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 124.955 3.525 . . . . 0.0 114.212 16.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.356 . . -66.73 9.52 0.18 Allowed 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 124.524 2.107 . . . . 0.0 116.657 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -32.22 73.55 Favored 'General case' 0 CA--C 1.487 -1.459 0 O-C-N 117.992 -2.943 . . . . 0.0 112.465 155.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -115.47 104.25 11.57 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 113.558 -3.257 . . . . 0.0 113.13 132.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.1 141.13 36.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 101.679 -3.452 . . . . 0.0 101.679 157.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 76.31 -10.83 1.24 Allowed 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 128.37 3.544 . . . . 0.0 112.854 -142.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.0 m -79.49 -54.32 6.02 Favored 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 120.827 -1.171 . . . . 0.0 112.985 147.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.451 ' CE1' ' CD1' ' A' ' 30' ' ' ILE . 1.0 OUTLIER -142.68 -135.56 0.1 Allowed 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 127.701 2.4 . . . . 0.0 113.223 161.298 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CD1' ' CE1' ' A' ' 29' ' ' HIS . 21.7 mm -67.14 141.54 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -166.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.374 0 O-C-N 116.336 -3.978 . . . . 0.0 105.909 -171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.2 m95 . . . . . 0 CA--C 1.486 -1.482 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 69.9 mttt -72.83 -38.36 67.16 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 -175.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.571 . . 45.54 57.59 4.85 Favored 'General case' 0 N--CA 1.426 -1.639 0 C-N-CA 127.398 2.279 . . . . 0.0 113.121 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 77.03 3.21 3.31 Favored 'General case' 0 CA--C 1.49 -1.344 1 C-N-CA 132.555 4.342 . . . . 0.0 109.044 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.33 70.79 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 113.338 -1.756 . . . . 0.0 113.127 -169.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 p -131.47 -22.98 2.4 Favored 'General case' 0 CA--C 1.488 -1.439 1 CA-C-O 129.024 4.25 . . . . 0.0 108.217 174.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 11' ' ' CYS . . . -128.37 138.84 33.91 Favored Pre-proline 0 N--CA 1.429 -1.488 0 CA-C-N 110.752 -2.931 . . . . 0.0 104.954 124.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 75.1 Cg_endo -77.14 -20.26 12.98 Favored 'Trans proline' 0 C--N 1.294 -2.29 0 C-N-CA 125.032 3.821 . . . . 0.0 113.929 -168.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA3' ' HG3' ' A' ' 17' ' ' GLN . . . -130.54 36.28 2.33 Favored Glycine 0 N--CA 1.423 -2.217 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 8' ' ' THR 0.302 0.1 OUTLIER -58.11 -45.72 86.76 Favored 'General case' 0 N--CA 1.425 -1.711 1 N-CA-C 126.568 5.766 . . . . 0.0 126.568 -146.775 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.538 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 22.5 m -75.26 154.1 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 O-C-N 118.107 -2.87 . . . . 0.0 114.528 29.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -106.15 9.13 32.35 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 157.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.538 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 81.08 -3.2 77.89 Favored Glycine 0 N--CA 1.426 -1.967 0 C-N-CA 130.322 3.82 . . . . 0.0 114.414 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.55 0.3 OUTLIER -61.47 -53.68 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 170.239 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -98.85 -47.34 5.32 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 118.482 -2.636 . . . . 0.0 113.17 33.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' HG3' ' HA3' ' A' ' 10' ' ' GLY . 5.3 tt0 -119.62 129.74 54.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 127.82 3.2 . . . . 0.0 112.265 -158.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.1 m -97.1 -10.07 26.74 Favored 'General case' 0 N--CA 1.426 -1.665 1 O-C-N 110.863 -7.398 . . . . 0.0 111.754 -175.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -137.56 141.59 41.36 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-O 116.033 -1.936 . . . . 0.0 111.518 172.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -116.02 132.13 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-N 122.636 2.471 . . . . 0.0 111.39 168.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.505 ' C ' ' H ' ' A' ' 24' ' ' ALA . 22.8 tt0 -98.92 -9.01 24.71 Favored 'General case' 0 N--CA 1.424 -1.75 1 C-N-CA 133.928 4.891 . . . . 0.0 112.59 -13.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 . . -74.99 15.61 0.38 Allowed 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 123.577 2.899 . . . . 0.0 110.895 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . -62.23 -30.81 71.36 Favored 'General case' 0 CA--C 1.492 -1.258 0 O-C-N 116.793 -3.692 . . . . 0.0 112.637 147.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.413 . . -105.61 86.92 2.48 Favored 'General case' 0 N--CA 1.426 -1.657 0 O-C-N 117.615 -3.178 . . . . 0.0 108.685 143.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.61 143.11 47.14 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 148.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.23 -14.75 0.24 Allowed 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 128.873 2.869 . . . . 0.0 110.515 -134.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.93 -37.46 84.37 Favored 'General case' 0 N--CA 1.431 -1.408 1 O-C-N 116.047 -4.158 . . . . 0.0 116.461 153.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -152.86 -68.44 0.16 Allowed 'General case' 0 CA--C 1.484 -1.588 0 CA-C-N 120.605 1.548 . . . . 0.0 107.335 97.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -78.1 134.66 27.78 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -160.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.952 1 O-C-N 116.056 -4.152 . . . . 0.0 110.894 -166.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 85.8 m95 . . . . . 0 CA--C 1.488 -1.423 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -68.95 -45.61 70.3 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 120.533 3.531 . . . . 0.0 120.533 175.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.449 . . 41.31 61.44 1.79 Allowed 'General case' 0 CA--C 1.482 -1.637 2 O-C-N 115.653 -4.404 . . . . 0.0 113.652 -169.497 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 84.27 12.76 0.31 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.766 1.916 . . . . 0.0 109.179 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.34 90.39 0.96 Allowed 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 125.465 2.555 . . . . 0.0 117.046 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 p -154.95 -19.93 0.12 Allowed 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.28 . . -121.29 138.55 28.24 Favored Pre-proline 0 N--CA 1.429 -1.502 0 CA-C-O 112.857 -3.449 . . . . 0.0 111.909 109.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . 0.284 30.3 Cg_endo -70.78 -17.43 32.97 Favored 'Trans proline' 0 C--N 1.294 -2.294 0 C-N-CA 125.047 3.831 . . . . 0.0 113.96 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.06 47.03 0.96 Allowed Glycine 0 N--CA 1.43 -1.764 0 CA-C-O 116.047 -2.529 . . . . 0.0 110.937 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.353 0.0 OUTLIER -59.5 -47.47 85.41 Favored 'General case' 0 CA--C 1.478 -1.813 1 N-CA-C 123.216 4.525 . . . . 0.0 123.216 -154.296 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -82.77 148.66 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 1 CA-C-O 128.562 4.03 . . . . 0.0 112.475 34.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -99.61 1.05 43.31 Favored 'General case' 0 N--CA 1.427 -1.603 1 O-C-N 114.233 -5.292 . . . . 0.0 106.71 168.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.14 -5.01 85.36 Favored Glycine 0 N--CA 1.421 -2.357 1 O-C-N 129.664 4.353 . . . . 0.0 112.809 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.36 -29.62 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 121.783 3.994 . . . . 0.0 121.783 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.13 -45.2 83.69 Favored 'General case' 0 N--CA 1.431 -1.414 2 O-C-N 113.458 -5.776 . . . . 0.0 112.746 -11.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . 0.264 10.9 pt20 -145.58 155.88 43.33 Favored 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 125.419 1.699 . . . . 0.0 111.393 -156.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 m -74.85 -41.69 59.37 Favored 'General case' 0 N--CA 1.429 -1.522 1 O-C-N 115.955 -4.215 . . . . 0.0 115.488 -177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -123.95 148.75 46.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 128.086 3.366 . . . . 0.0 105.605 159.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.0 tt -138.71 138.41 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.582 0 C-N-CA 129.672 3.189 . . . . 0.0 106.082 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -94.16 -8.5 39.27 Favored 'General case' 0 N--CA 1.425 -1.697 2 O-C-N 115.821 -4.3 . . . . 0.0 115.989 13.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.375 . . -70.9 10.14 0.58 Allowed 'General case' 0 N--CA 1.432 -1.358 0 CA-C-O 123.271 1.51 . . . . 0.0 112.851 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.95 -22.98 63.12 Favored 'General case' 0 N--CA 1.42 -1.962 1 O-C-N 116.06 -4.15 . . . . 0.0 112.498 158.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -126.2 101.29 6.69 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-O 126.45 3.024 . . . . 0.0 107.916 135.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 p -129.32 153.17 48.09 Favored 'General case' 0 N--CA 1.427 -1.598 1 N-CA-C 99.518 -4.253 . . . . 0.0 99.518 158.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 t30 69.86 -37.0 0.36 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 126.683 3.135 . . . . 0.0 111.07 -135.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.2 m -66.66 -46.66 75.02 Favored 'General case' 0 N--CA 1.425 -1.704 1 O-C-N 113.591 -5.693 . . . . 0.0 114.263 165.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.464 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 24.0 t60 -122.4 179.72 4.48 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 109.079 -3.691 . . . . 0.0 105.203 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 41.8 mm -27.71 135.5 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.755 0 C-N-CA 129.549 3.139 . . . . 0.0 113.151 141.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.834 1 O-C-N 116.241 -4.037 . . . . 0.0 112.185 -169.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 24.2 m95 . . . . . 0 CA--C 1.483 -1.613 0 CA-C-O 123.693 1.711 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -82.13 -55.04 4.8 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.54 -1.975 . . . . 0.0 113.682 -159.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.687 . . 55.99 46.1 22.51 Favored 'General case' 0 N--CA 1.432 -1.347 1 N-CA-C 123.423 4.601 . . . . 0.0 123.423 -168.837 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 88.32 2.71 0.31 Allowed 'General case' 0 CA--C 1.488 -1.404 1 C-N-CA 132.573 4.349 . . . . 0.0 103.545 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -159.97 72.76 0.51 Allowed 'General case' 0 N--CA 1.432 -1.366 0 O-C-N 127.727 3.142 . . . . 0.0 111.128 -173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -134.69 -38.18 0.82 Allowed 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 104.722 -2.325 . . . . 0.0 104.722 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -116.11 127.62 26.63 Favored Pre-proline 0 N--CA 1.427 -1.601 0 CA-C-N 111.313 -2.676 . . . . 0.0 104.258 130.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -75.46 -16.66 19.1 Favored 'Trans proline' 0 C--N 1.301 -1.932 0 O-C-N 116.208 -2.575 . . . . 0.0 116.801 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.78 40.44 1.68 Allowed Glycine 0 N--CA 1.429 -1.78 0 CA-C-N 110.941 -2.845 . . . . 0.0 107.513 172.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -40.46 87.02 Favored 'General case' 0 N--CA 1.432 -1.358 1 N-CA-C 126.004 5.557 . . . . 0.0 126.004 -162.057 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 m -94.02 147.1 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 C-N-CA 131.587 3.955 . . . . 0.0 110.177 30.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -90.54 8.05 35.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.423 -1.262 . . . . 0.0 113.375 164.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.17 2.78 90.64 Favored Glycine 0 N--CA 1.433 -1.537 0 CA-C-O 116.492 -2.282 . . . . 0.0 114.634 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.274 0.6 OUTLIER -79.97 -17.4 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 O-C-N 129.637 3.787 . . . . 0.0 119.463 173.062 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -73.82 -47.73 36.48 Favored 'General case' 0 N--CA 1.431 -1.398 1 C-N-CA 132.883 4.473 . . . . 0.0 114.174 -9.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -110.19 140.55 44.19 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 126.247 1.819 . . . . 0.0 109.062 -175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.6 m -97.28 -1.18 45.26 Favored 'General case' 0 N--CA 1.425 -1.724 0 C-N-CA 123.499 0.72 . . . . 0.0 110.291 -163.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' CD2' HG21 ' A' ' 23' ' ' THR . 22.5 t80 -140.82 147.36 38.89 Favored 'General case' 0 N--CA 1.434 -1.247 0 O-C-N 121.365 -0.834 . . . . 0.0 108.833 158.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.0 mt -129.89 120.97 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.483 0 CA-C-O 114.839 -2.505 . . . . 0.0 109.183 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.292 1.8 tp60 -70.92 -46.06 63.15 Favored 'General case' 0 N--CA 1.426 -1.626 1 C-N-CA 134.686 5.194 . . . . 0.0 113.482 7.493 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.422 HG21 ' CD2' ' A' ' 20' ' ' PHE 0.502 . . -52.91 4.48 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.571 1 N-CA-C 121.861 4.022 . . . . 0.0 121.861 -150.455 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 4.3 19.29 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 118.754 -2.466 . . . . 0.0 116.454 153.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.287 . . -140.3 132.79 28.59 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 127.578 3.561 . . . . 0.0 112.756 99.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.5 p -148.61 148.88 30.63 Favored 'General case' 0 CA--C 1.488 -1.409 2 C-N-CA 137.02 6.128 . . . . 0.0 95.328 159.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.298 66.8 m-20 67.93 -22.44 0.12 Allowed 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -167.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -7.8 53.93 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 128.049 2.54 . . . . 0.0 111.606 144.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.702 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 65.6 t60 -159.5 -174.35 4.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 O-C-N 117.205 -3.435 . . . . 0.0 110.255 -166.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.702 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 6.4 mm -59.31 115.5 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 127.058 2.143 . . . . 0.0 109.196 159.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.379 0.0 OUTLIER . . . . . 0 C--O 1.263 1.781 0 CA-C-O 116.899 -1.525 . . . . 0.0 111.773 -165.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.2 m95 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.509 0.671 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -88.01 -54.3 4.29 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 123.675 0.79 . . . . 0.0 113.118 -156.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.657 . . 50.5 67.2 0.96 Allowed 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 -166.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 69.26 6.65 5.79 Favored 'General case' 0 CA--C 1.491 -1.293 0 C-N-CA 131.182 3.793 . . . . 0.0 118.531 -165.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . 0.392 30.9 p90 -162.61 59.4 0.21 Allowed 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.648 -166.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -107.83 -18.94 13.68 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 121.055 1.752 . . . . 0.0 109.733 156.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -125.55 136.11 27.86 Favored Pre-proline 0 N--CA 1.43 -1.446 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 135.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -81.56 -10.76 11.92 Favored 'Trans proline' 0 N--CA 1.432 -2.117 0 CA-C-N 128.137 3.942 . . . . 0.0 107.682 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.93 47.67 0.88 Allowed Glycine 0 CA--C 1.481 -2.08 0 O-C-N 116.906 -3.622 . . . . 0.0 112.76 168.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.4 -36.35 83.85 Favored 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 123.442 4.608 . . . . 0.0 123.442 -159.746 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.273 24.7 m -86.77 144.78 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 1 C-N-CA 135.901 5.68 . . . . 0.0 110.609 31.467 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.251 . . -98.73 0.03 43.71 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 118.648 -2.533 . . . . 0.0 110.686 170.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.62 90.66 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 128.961 3.172 . . . . 0.0 112.935 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.325 0.3 OUTLIER -76.98 -19.83 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.545 0 O-C-N 127.414 2.479 . . . . 0.0 117.027 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mt -81.0 -40.73 23.84 Favored 'General case' 0 CA--C 1.491 -1.318 3 C-N-CA 133.614 4.766 . . . . 0.0 112.65 0.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.5 148.46 48.86 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.2 m -79.23 -6.76 57.36 Favored 'General case' 0 N--CA 1.426 -1.64 0 O-C-N 116.504 -3.873 . . . . 0.0 117.532 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -149.54 159.38 44.36 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 151.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 pt -136.09 145.26 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.451 2.3 . . . . 0.0 108.704 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.343 3.1 tp-100 -104.97 1.88 29.15 Favored 'General case' 0 N--CA 1.423 -1.786 0 O-C-N 116.583 -3.823 . . . . 0.0 118.473 6.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.486 . . -59.56 8.21 0.02 OUTLIER 'General case' 0 N--CA 1.424 -1.768 0 O-C-N 116.729 -3.732 . . . . 0.0 118.229 158.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -7.73 53.89 Favored 'General case' 0 N--CA 1.433 -1.314 1 N-CA-C 121.845 4.017 . . . . 0.0 121.845 149.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -119.2 106.8 12.71 Favored 'General case' 0 N--CA 1.427 -1.599 0 C-N-CA 117.518 -1.673 . . . . 0.0 109.292 118.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 p -146.97 143.53 28.52 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 100.435 -3.913 . . . . 0.0 100.435 154.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.391 10.5 t-20 81.64 -35.3 0.1 Allowed 'General case' 0 CA--C 1.484 -1.562 0 O-C-N 120.961 -1.087 . . . . 0.0 112.008 -121.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 m -78.74 -52.06 8.91 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-O 123.863 1.792 . . . . 0.0 113.029 167.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.555 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 86.3 t60 -162.97 164.18 25.84 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 153.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.555 ' H ' ' CG ' ' A' ' 29' ' ' HIS 0.27 17.2 mt -36.95 142.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.428 -1.564 0 C-N-CA 131.033 3.733 . . . . 0.0 115.968 -166.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.551 0 CA-C-O 116.828 -1.558 . . . . 0.0 114.884 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 CA--C 1.49 -1.352 0 CA-C-O 122.424 1.107 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -74.96 -39.64 61.21 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 120.287 -1.508 . . . . 0.0 108.123 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.85 . . 61.98 56.96 2.2 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 117.115 -3.491 . . . . 0.0 118.643 166.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 76.85 7.15 3.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 130.242 3.417 . . . . 0.0 108.972 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -159.99 65.14 0.35 Allowed 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.915 -1.116 . . . . 0.0 110.197 -166.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.53 -16.95 5.68 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 123.732 1.729 . . . . 0.0 109.355 158.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -124.01 124.91 25.92 Favored Pre-proline 0 N--CA 1.428 -1.574 0 N-CA-C 100.521 -3.881 . . . . 0.0 100.521 128.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -73.18 -15.42 25.6 Favored 'Trans proline' 0 CA--C 1.479 -2.238 1 C-N-CA 126.667 4.911 . . . . 0.0 117.098 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.5 41.56 1.31 Allowed Glycine 0 CA--C 1.487 -1.666 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 172.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -53.04 59.68 Favored 'General case' 0 CA--C 1.487 -1.475 1 N-CA-C 127.387 6.069 . . . . 0.0 127.387 -160.605 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -84.14 138.29 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 1 O-C-N 111.855 -6.778 . . . . 0.0 112.609 40.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -96.47 6.45 48.72 Favored 'General case' 0 N--CA 1.432 -1.34 1 O-C-N 115.215 -4.678 . . . . 0.0 101.611 173.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 3.75 72.97 Favored Glycine 0 N--CA 1.429 -1.825 0 CA-C-O 126.113 3.063 . . . . 0.0 108.263 148.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -80.02 -19.45 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.565 0 C-N-CA 129.288 3.035 . . . . 0.0 114.603 171.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.423 -1.79 1 C-N-CA 140.939 7.696 . . . . 0.0 117.088 1.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -137.23 167.81 20.84 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -86.96 -25.47 24.32 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -131.45 133.76 45.52 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 126.378 2.99 . . . . 0.0 111.119 162.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.0 mt -121.58 128.26 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 104.616 -2.364 . . . . 0.0 104.616 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.556 ' H ' ' C ' ' A' ' 32' ' ' LYS . 1.4 tp-100 -90.48 -10.4 43.8 Favored 'General case' 0 N--CA 1.426 -1.674 2 C-N-CA 132.624 4.369 . . . . 0.0 118.956 8.315 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 . . -85.09 14.82 4.61 Favored 'General case' 0 CA--C 1.488 -1.408 0 O-C-N 116.883 -3.636 . . . . 0.0 112.698 -168.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.27 64.19 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 119.425 -2.047 . . . . 0.0 115.798 149.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.31 . . -121.58 90.18 3.26 Favored 'General case' 0 CA--C 1.491 -1.307 0 CA-C-N 122.404 2.365 . . . . 0.0 109.564 136.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.493 ' HA ' ' H ' ' A' ' 29' ' ' HIS 0.285 23.0 p -131.5 147.71 52.57 Favored 'General case' 0 N--CA 1.426 -1.644 1 N-CA-C 97.99 -4.819 . . . . 0.0 97.99 162.003 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.51 54.0 m-80 77.56 -50.49 0.52 Allowed 'General case' 0 CA--C 1.496 -1.12 1 O-C-N 116.199 -4.063 . . . . 0.0 113.358 -129.547 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.6 -52.33 64.84 Favored 'General case' 0 CA--C 1.484 -1.59 0 O-C-N 126.892 2.62 . . . . 0.0 117.489 162.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 64.8 t60 -147.82 -179.78 7.15 Favored 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 131.385 3.874 . . . . 0.0 110.537 -157.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.518 ' H ' ' CG ' ' A' ' 29' ' ' HIS 0.265 7.9 mm -48.29 126.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 C-N-CA 126.538 1.935 . . . . 0.0 112.877 168.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 22' ' ' GLN 0.349 0.0 OUTLIER . . . . . 0 C--O 1.265 1.878 0 CA-C-N 120.605 1.548 . . . . 0.0 108.272 -169.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.4 m95 . . . . . 0 CA--C 1.496 -1.127 0 CA-C-O 115.086 -2.388 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.96 -52.05 64.5 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.486 . . 35.53 62.47 0.61 Allowed 'General case' 0 N--CA 1.426 -1.673 1 C-N-CA 136.036 5.734 . . . . 0.0 117.427 -158.27 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.89 21.82 12.39 Favored 'General case' 0 N--CA 1.426 -1.652 0 O-C-N 126.877 2.611 . . . . 0.0 115.555 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.31 73.39 0.73 Allowed 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 117.883 -3.011 . . . . 0.0 114.451 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.91 -42.13 16.66 Favored 'General case' 0 CA--C 1.482 -1.668 0 CA-C-N 109.392 -3.549 . . . . 0.0 110.092 155.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . . . -133.7 138.08 30.18 Favored Pre-proline 0 N--CA 1.429 -1.493 0 CA-C-N 108.817 -3.81 . . . . 0.0 105.54 146.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 32.4 Cg_exo -63.18 -19.2 68.13 Favored 'Trans proline' 0 N--CA 1.434 -1.992 1 C-N-CA 127.027 5.151 . . . . 0.0 116.421 -169.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.94 29.46 1.83 Allowed Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 104.229 -3.548 . . . . 0.0 104.229 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -48.13 -54.81 12.02 Favored 'General case' 0 CA--C 1.483 -1.626 1 N-CA-C 124.444 4.979 . . . . 0.0 124.444 -152.137 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.62 148.42 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.771 1 O-C-N 114.603 -5.061 . . . . 0.0 114.203 30.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 . . -91.47 12.33 21.06 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 166.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.35 -5.87 81.78 Favored Glycine 0 CA--C 1.488 -1.625 0 O-C-N 120.777 -1.202 . . . . 0.0 111.803 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.353 0.8 OUTLIER -75.2 -29.95 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 N-CA-C 119.59 3.182 . . . . 0.0 119.59 173.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.57 -44.35 12.72 Favored 'General case' 0 N--CA 1.428 -1.531 3 C-N-CA 137.336 6.254 . . . . 0.0 112.42 7.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -118.4 149.47 41.17 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.9 m -96.81 -15.91 21.06 Favored 'General case' 0 N--CA 1.424 -1.743 0 O-C-N 116.381 -3.95 . . . . 0.0 106.897 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -126.86 134.49 50.5 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 125.722 2.677 . . . . 0.0 110.389 172.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.98 122.81 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.481 171.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.49 -43.3 40.26 Favored 'General case' 0 N--CA 1.423 -1.786 2 C-N-CA 134.165 4.986 . . . . 0.0 111.591 2.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.445 . . -75.73 16.47 0.39 Allowed 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -150.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.51 -13.65 61.47 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-O 113.129 -3.319 . . . . 0.0 116.342 142.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.271 . . -120.98 90.84 3.4 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 125.515 1.76 . . . . 0.0 111.647 137.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -140.93 138.47 33.85 Favored 'General case' 0 N--CA 1.427 -1.577 1 N-CA-C 95.84 -5.615 . . . . 0.0 95.84 160.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.506 45.7 m-20 86.69 -29.23 0.06 Allowed 'General case' 0 N--CA 1.433 -1.282 1 O-C-N 131.72 5.638 . . . . 0.0 109.184 -135.977 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 m -75.53 -15.14 60.42 Favored 'General case' 0 CA--C 1.485 -1.526 1 CA-C-O 128.877 4.179 . . . . 0.0 117.534 154.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 41.3 t60 -177.09 -174.01 0.49 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.882 -155.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.514 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 11.9 mm -74.14 153.18 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.545 0 CA-C-O 123.709 1.718 . . . . 0.0 109.037 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? . . . . . 0 C--O 1.265 1.881 0 CA-C-N 120.337 1.426 . . . . 0.0 109.554 -152.649 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.329 80.0 m95 . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -81.35 -50.53 9.38 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -164.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.619 . . 46.01 67.59 0.73 Allowed 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -164.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 78.26 9.6 2.11 Favored 'General case' 0 CA--C 1.483 -1.617 0 O-C-N 118.696 -2.502 . . . . 0.0 113.75 132.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -131.35 155.21 47.64 Favored 'General case' 0 CA--C 1.487 -1.476 0 N-CA-C 100.443 -3.91 . . . . 0.0 100.443 -28.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.57 -6.17 13.96 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.923 -152.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.308 . . -115.6 126.79 27.37 Favored Pre-proline 0 CA--C 1.483 -1.597 0 CA-C-O 114.576 -2.63 . . . . 0.0 104.231 120.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_exo -61.07 -17.61 53.03 Favored 'Trans proline' 0 CA--C 1.486 -1.923 1 CA-C-N 129.587 4.46 . . . . 0.0 114.931 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.96 43.16 1.3 Allowed Glycine 0 CA--C 1.49 -1.515 0 CA-C-O 116.014 -2.548 . . . . 0.0 108.475 171.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.52 89.32 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -158.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -85.76 151.43 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.54 1 O-C-N 115.205 -4.684 . . . . 0.0 107.047 35.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -99.62 12.08 37.49 Favored 'General case' 0 CA--C 1.481 -1.705 0 C-N-CA 127.404 2.282 . . . . 0.0 107.545 163.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.47 -1.62 56.4 Favored Glycine 0 N--CA 1.422 -2.268 0 C-N-CA 128.795 3.093 . . . . 0.0 110.801 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.49 ' HB ' ' SG ' ' A' ' 19' ' ' CYS 0.4 69.2 t -58.91 -37.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 120.11 3.374 . . . . 0.0 120.11 169.05 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.07 -37.98 78.8 Favored 'General case' 0 N--CA 1.428 -1.542 1 C-N-CA 133.528 4.731 . . . . 0.0 114.891 -5.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -125.14 141.09 52.32 Favored 'General case' 0 CA--C 1.487 -1.473 0 O-C-N 127.244 2.84 . . . . 0.0 112.553 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.49 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 66.3 m -53.61 -35.77 61.25 Favored 'General case' 0 N--CA 1.421 -1.92 0 C-N-CA 130.456 3.502 . . . . 0.0 115.069 176.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -140.27 152.03 45.58 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 165.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.9 mt -140.47 120.11 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 N-CA-C 101.207 -3.627 . . . . 0.0 101.207 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -100.65 -11.86 19.66 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 127.299 2.24 . . . . 0.0 116.446 41.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.316 . . -67.43 17.46 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.266 1 O-C-N 116.159 -4.088 . . . . 0.0 117.182 176.127 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -17.5 64.29 Favored 'General case' 0 CA--C 1.485 -1.522 0 O-C-N 116.98 -3.575 . . . . 0.0 113.821 152.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -129.28 81.38 2.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 125.58 2.609 . . . . 0.0 107.016 144.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' HA ' ' H ' ' A' ' 29' ' ' HIS . 10.7 p -128.51 141.84 51.26 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 100.318 -3.956 . . . . 0.0 100.318 155.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t30 81.31 -30.31 0.11 Allowed 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 111.212 -2.722 . . . . 0.0 113.471 -128.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.93 -52.01 10.18 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.187 2.267 . . . . 0.0 111.272 157.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.766 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 74.3 t60 -147.16 -171.23 3.73 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 126.051 2.834 . . . . 0.0 110.667 -175.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.766 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 13.4 mm -48.17 129.82 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 CA-C-N 112.611 -2.086 . . . . 0.0 113.296 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER . . . . . 0 C--O 1.26 1.631 0 C-N-CA 126.58 1.952 . . . . 0.0 115.713 -155.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.0 m95 . . . . . 0 CA--C 1.487 -1.464 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.64 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -56.66 -54.79 41.97 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.947 . . 75.27 57.09 0.06 Allowed 'General case' 0 N--CA 1.432 -1.371 1 N-CA-C 125.544 5.387 . . . . 0.0 125.544 -164.999 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 85.92 56.64 0.01 OUTLIER 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 124.263 1.982 . . . . 0.0 114.879 151.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.33 153.32 28.83 Favored 'General case' 0 CA--C 1.488 -1.432 0 C-N-CA 113.408 -3.317 . . . . 0.0 104.428 162.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 p -129.5 -19.34 3.43 Favored 'General case' 0 N--CA 1.428 -1.567 0 O-C-N 117.371 -3.331 . . . . 0.0 105.615 -161.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -122.29 133.27 24.29 Favored Pre-proline 0 N--CA 1.431 -1.42 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 148.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -72.44 -12.65 27.41 Favored 'Trans proline' 0 C--N 1.293 -2.351 0 CA-C-N 126.433 3.333 . . . . 0.0 111.554 -160.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA3' ' H ' ' A' ' 18' ' ' MDH . . . -135.79 48.61 0.92 Allowed Glycine 0 N--CA 1.428 -1.897 0 C-N-CA 130.134 3.731 . . . . 0.0 110.135 174.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.33 0.0 OUTLIER -71.32 -25.29 62.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -161.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 m -93.62 155.06 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.502 1 CA-C-N 127.604 4.729 . . . . 0.0 111.698 29.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.296 . . -98.1 8.84 44.17 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.445 172.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.2 -18.9 49.79 Favored Glycine 0 N--CA 1.429 -1.813 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.051 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.33 -51.15 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.213 0 C-N-CA 129.801 3.24 . . . . 0.0 119.071 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -98.86 -47.74 5.17 Favored 'General case' 0 CA--C 1.483 -1.599 1 C-N-CA 134.879 5.272 . . . . 0.0 114.703 15.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -90.12 112.69 24.24 Favored 'General case' 0 N--CA 1.425 -1.683 0 C-N-CA 127.881 2.472 . . . . 0.0 114.817 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . 0.4 ' H ' ' HA3' ' A' ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.6 m -88.88 -3.06 58.85 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-O 123.626 1.679 . . . . 0.0 110.064 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -144.82 144.61 31.23 Favored 'General case' 0 CA--C 1.487 -1.48 0 O-C-N 120.133 -1.604 . . . . 0.0 114.812 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.8 118.29 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 CA-C-O 113.16 -3.305 . . . . 0.0 107.498 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -93.02 -11.35 33.32 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 125.627 3.831 . . . . 0.0 115.828 35.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.414 . . -77.42 10.74 2.35 Favored 'General case' 0 N--CA 1.422 -1.86 0 CA-C-N 123.378 2.808 . . . . 0.0 114.158 -173.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.7 -16.82 64.5 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 117.267 -3.396 . . . . 0.0 115.3 149.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.337 . . -127.75 95.71 4.3 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-O 125.216 2.436 . . . . 0.0 109.229 128.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 25.6 p -134.22 142.91 47.54 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.902 2.481 . . . . 0.0 104.525 150.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.335 1.9 t30 77.64 -13.72 0.92 Allowed 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 109.526 -3.488 . . . . 0.0 114.006 -148.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 m -67.49 -60.26 2.71 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 122.225 1.012 . . . . 0.0 110.771 135.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.579 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 57.6 t60 -127.64 -151.58 0.48 Allowed 'General case' 0 CA--C 1.49 -1.362 1 C-N-CA 132.03 4.132 . . . . 0.0 111.86 -165.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.579 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 11.6 mm -85.12 139.94 16.72 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 C-N-CA 125.168 1.387 . . . . 0.0 110.522 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.382 0 CA-C-N 122.553 2.433 . . . . 0.0 107.491 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 28.0 m95 . . . . . 0 CA--C 1.492 -1.276 0 CA-C-O 113.165 -3.302 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -80.32 -52.81 7.25 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 125.614 1.821 . . . . 0.0 112.612 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.523 . . 52.18 56.03 8.33 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 126.932 3.253 . . . . 0.0 117.773 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 76.63 -6.56 1.99 Allowed 'General case' 0 N--CA 1.434 -1.253 1 CA-C-N 108.154 -4.112 . . . . 0.0 112.935 -170.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . 0.293 0.6 OUTLIER -159.12 69.73 0.47 Allowed 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 124.195 1.95 . . . . 0.0 114.346 -171.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.9 p -137.45 -33.18 0.74 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.524 -1.985 . . . . 0.0 106.548 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -117.8 144.48 34.55 Favored Pre-proline 0 N--CA 1.426 -1.648 0 CA-C-O 113.519 -3.134 . . . . 0.0 102.651 123.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.38 -29.34 4.9 Favored 'Trans proline' 0 N--CA 1.43 -2.23 0 CA-C-N 126.846 3.481 . . . . 0.0 114.584 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 52.59 0.83 Allowed Glycine 0 CA--C 1.483 -1.935 1 C-N-CA 132.254 4.74 . . . . 0.0 115.44 169.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -42.18 96.78 Favored 'General case' 0 N--CA 1.427 -1.585 2 CA-C-N 104.802 -5.699 . . . . 0.0 123.164 -153.223 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.316 10.8 m -76.97 156.71 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 116.867 -3.645 . . . . 0.0 111.581 29.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.288 . . -108.33 5.83 25.89 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.74 -6.18 73.62 Favored Glycine 0 CA--C 1.484 -1.865 0 C-N-CA 123.654 0.645 . . . . 0.0 112.115 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.89 -33.29 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.394 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.18 -51.24 67.16 Favored 'General case' 0 N--CA 1.427 -1.594 2 C-N-CA 136.582 5.953 . . . . 0.0 115.164 -8.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -122.59 133.56 54.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.356 3.062 . . . . 0.0 114.247 -161.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.3 72.0 m -80.88 -22.74 39.56 Favored 'General case' 0 N--CA 1.432 -1.331 0 O-C-N 119.446 -2.034 . . . . 0.0 112.325 -173.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -139.18 139.5 37.56 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 126.387 1.875 . . . . 0.0 108.578 168.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.1 mt -143.44 140.29 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.823 1 C-N-CA 132.015 4.126 . . . . 0.0 102.986 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.78 -14.35 34.71 Favored 'General case' 0 N--CA 1.43 -1.426 1 C-N-CA 135.901 5.68 . . . . 0.0 117.875 11.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.575 . . -68.96 9.55 0.38 Allowed 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 126.739 3.161 . . . . 0.0 114.132 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.06 -22.92 67.13 Favored 'General case' 0 N--CA 1.426 -1.651 1 O-C-N 113.353 -5.842 . . . . 0.0 112.297 154.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -128.16 101.88 6.46 Favored 'General case' 0 N--CA 1.427 -1.617 0 O-C-N 127.97 3.294 . . . . 0.0 108.234 137.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.684 ' HA ' ' H ' ' A' ' 29' ' ' HIS . 9.9 p -129.65 142.21 50.77 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 129.044 2.938 . . . . 0.0 105.772 152.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.506 25.3 m-80 87.4 -34.69 0.03 OUTLIER 'General case' 0 N--CA 1.426 -1.634 0 CA-C-O 124.589 2.138 . . . . 0.0 112.159 -143.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . 0.265 4.2 m -58.01 -40.48 80.89 Favored 'General case' 0 CA--C 1.487 -1.478 0 O-C-N 116.345 -3.972 . . . . 0.0 109.581 142.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.684 ' H ' ' HA ' ' A' ' 26' ' ' CYS . 63.2 t60 -160.96 -179.34 7.46 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.293 -1.504 . . . . 0.0 109.932 -155.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.608 HG12 ' CE1' ' A' ' 29' ' ' HIS . 12.6 mm -61.02 137.57 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.665 0 C-N-CA 129.5 3.12 . . . . 0.0 112.319 170.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.774 0 CA-C-O 123.775 1.75 . . . . 0.0 107.595 -167.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.4 m95 . . . . . 0 CA--C 1.5 -0.945 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -72.85 -27.59 62.02 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 118.753 2.872 . . . . 0.0 118.753 172.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.705 . . 59.22 36.4 23.77 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 111.535 -2.575 . . . . 0.0 114.582 157.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.425 71.2 mm-40 73.27 37.41 0.74 Allowed 'General case' 0 CA--C 1.487 -1.477 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -124.29 151.0 44.76 Favored 'General case' 0 N--CA 1.42 -1.942 0 O-C-N 118.031 -2.918 . . . . 0.0 110.106 -18.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 p -95.99 -24.08 16.54 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.588 2.43 . . . . 0.0 113.847 -171.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -139.75 135.75 16.94 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-N 108.428 -3.987 . . . . 0.0 105.393 150.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.49 -20.02 24.23 Favored 'Trans proline' 0 C--N 1.296 -2.188 0 CA-C-N 123.74 2.371 . . . . 0.0 114.929 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.81 46.69 1.05 Allowed Glycine 0 CA--C 1.485 -1.785 0 O-C-N 128.014 3.321 . . . . 0.0 112.244 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -46.67 46.04 Favored 'General case' 0 N--CA 1.425 -1.685 1 N-CA-C 122.645 4.313 . . . . 0.0 122.645 -144.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -91.49 145.4 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.507 0 O-C-N 118.123 -2.86 . . . . 0.0 114.92 44.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.329 . . -90.52 11.77 20.78 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 120.049 -1.657 . . . . 0.0 113.152 159.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.44 -7.55 81.24 Favored Glycine 0 CA--C 1.49 -1.49 0 N-CA-C 107.071 -2.412 . . . . 0.0 107.071 165.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.383 3.0 p -75.34 -38.86 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.9 -38.16 8.74 Favored 'General case' 0 N--CA 1.424 -1.76 2 CA-C-N 127.336 4.607 . . . . 0.0 108.742 29.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -127.66 140.52 52.03 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 112.886 -1.961 . . . . 0.0 108.928 -162.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . 0.425 ' HB ' ' HB3' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -81.1 -24.39 37.76 Favored 'General case' 0 N--CA 1.425 -1.681 0 O-C-N 116.742 -3.724 . . . . 0.0 117.38 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -138.81 143.17 38.78 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 122.571 1.177 . . . . 0.0 108.765 165.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.7 mt -113.77 119.51 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 130.79 3.636 . . . . 0.0 104.127 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -88.43 -12.4 43.23 Favored 'General case' 0 N--CA 1.425 -1.689 1 C-N-CA 132.599 4.36 . . . . 0.0 119.095 37.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.411 . . -82.5 7.84 13.3 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 119.795 -1.816 . . . . 0.0 113.781 -161.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 18' ' ' MDH . . . -69.05 -11.36 60.71 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 111.741 -2.482 . . . . 0.0 115.316 152.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -127.55 113.06 15.62 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 121.382 1.901 . . . . 0.0 114.194 116.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 p -144.9 151.6 38.94 Favored 'General case' 0 N--CA 1.425 -1.722 1 N-CA-C 97.064 -5.161 . . . . 0.0 97.064 164.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 65.75 -25.77 0.1 Allowed 'General case' 0 CA--C 1.486 -1.496 0 C-N-CA 128.276 2.631 . . . . 0.0 111.401 -139.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.54 -38.93 91.93 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 116.631 -3.793 . . . . 0.0 111.591 149.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.568 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 32.6 t60 -159.71 177.23 11.07 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -152.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.568 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 33.8 mm -49.11 128.37 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-O 124.187 1.946 . . . . 0.0 114.264 165.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.718 0 CA-C-O 114.745 -2.55 . . . . 0.0 114.79 -163.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 58.5 m95 . . . . . 0 CA--C 1.487 -1.476 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.424 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -100.56 0.2 38.94 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.831 -159.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.368 . . 39.0 33.44 0.08 Allowed 'General case' 0 N--CA 1.429 -1.507 2 C-N-CA 139.034 6.933 . . . . 0.0 122.058 155.143 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 64.08 -18.76 0.07 Allowed 'General case' 0 N--CA 1.425 -1.722 1 O-C-N 114.449 -5.157 . . . . 0.0 114.976 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 8' ' ' THR . 6.4 p90 -149.78 168.05 24.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 154.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.95 -22.78 17.2 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 118.996 -2.315 . . . . 0.0 111.587 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -151.61 139.88 13.14 Favored Pre-proline 0 N--CA 1.421 -1.911 1 C-N-CA 133.604 4.762 . . . . 0.0 108.105 179.217 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -66.42 -25.91 48.28 Favored 'Trans proline' 0 C--N 1.296 -2.196 0 C-N-CA 123.029 2.486 . . . . 0.0 108.83 -167.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.97 43.24 1.21 Allowed Glycine 0 C--N 1.356 1.658 1 O-C-N 130.367 4.792 . . . . 0.0 108.528 173.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.378 0.0 OUTLIER -46.59 -56.36 6.19 Favored 'General case' 0 N--CA 1.429 -1.51 1 N-CA-C 125.062 5.208 . . . . 0.0 125.062 -158.447 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 22.2 m -91.88 138.0 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 CA-C-O 126.782 3.182 . . . . 0.0 113.237 37.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.329 . . -90.85 -4.3 56.7 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 110.861 -2.881 . . . . 0.0 112.236 154.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.495 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 71.6 20.19 78.33 Favored Glycine 0 CA--C 1.488 -1.652 0 O-C-N 119.214 -2.179 . . . . 0.0 113.781 158.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.251 4.8 p -88.78 -13.17 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 130.562 3.545 . . . . 0.0 115.08 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.29 -47.17 62.4 Favored 'General case' 0 CA--C 1.488 -1.441 2 C-N-CA 135.355 5.462 . . . . 0.0 115.826 -4.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -133.69 167.18 20.98 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-O 123.271 1.51 . . . . 0.0 112.143 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.4 m -90.17 19.62 4.92 Favored 'General case' 0 N--CA 1.425 -1.682 1 O-C-N 115.383 -4.573 . . . . 0.0 110.149 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -152.96 154.02 34.14 Favored 'General case' 0 CA--C 1.49 -1.339 1 O-C-N 116.024 -4.173 . . . . 0.0 102.398 175.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mt -124.93 143.36 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 125.983 3.992 . . . . 0.0 108.238 164.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -91.38 -11.76 36.86 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -23.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . . . -68.66 9.26 0.38 Allowed 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -173.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.0 -17.7 62.49 Favored 'General case' 0 N--CA 1.425 -1.713 0 O-C-N 119.574 -1.954 . . . . 0.0 115.458 151.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.411 . . -117.42 100.63 7.79 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 126.86 3.219 . . . . 0.0 113.388 124.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 p -142.36 148.15 37.42 Favored 'General case' 0 CA--C 1.487 -1.462 0 O-C-N 117.071 -3.518 . . . . 0.0 103.038 157.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 62.47 -15.12 0.05 Allowed 'General case' 0 N--CA 1.428 -1.545 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.736 -136.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 m -62.81 -43.21 99.39 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 125.246 2.45 . . . . 0.0 116.66 141.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.588 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 71.0 t60 -155.02 -153.39 0.45 Allowed 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 104.129 -2.545 . . . . 0.0 104.129 171.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.588 ' H ' ' CG ' ' A' ' 29' ' ' HIS 0.545 16.7 mm -32.17 118.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.348 1 C-N-CA 134.299 5.04 . . . . 0.0 116.044 159.327 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.813 1 CA-C-N 126.04 4.018 . . . . 0.0 109.106 -168.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.2 m95 . . . . . 0 CA--C 1.488 -1.427 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -63.78 -51.73 63.49 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 128.606 2.762 . . . . 0.0 111.331 -173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.612 . . 60.0 52.43 5.21 Favored 'General case' 0 CA--C 1.48 -1.746 0 N-CA-C 120.418 3.488 . . . . 0.0 120.418 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.296 12.9 mm100 84.76 41.98 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 131.349 3.86 . . . . 0.0 108.416 -178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.58 81.43 1.17 Allowed 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -167.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -91.3 -22.54 20.5 Favored 'General case' 0 CA--C 1.486 -1.484 0 CA-C-O 123.246 1.498 . . . . 0.0 110.665 166.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -132.04 138.73 33.05 Favored Pre-proline 0 N--CA 1.43 -1.433 1 N-CA-C 99.653 -4.203 . . . . 0.0 99.653 146.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.31 -6.89 14.93 Favored 'Trans proline' 0 N--CA 1.432 -2.09 0 O-C-N 117.75 -1.763 . . . . 0.0 114.568 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.23 51.76 0.72 Allowed Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 161.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.804 ' H ' HG22 ' A' ' 13' ' ' THR 0.386 0.0 OUTLIER -57.61 -53.04 62.67 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 119.787 3.254 . . . . 0.0 119.787 -156.603 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.6 145.3 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 1 O-C-N 115.423 -4.548 . . . . 0.0 111.682 49.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.804 HG22 ' H ' ' A' ' 11' ' ' CYS 0.301 . . -102.97 -3.75 25.64 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 124.891 2.281 . . . . 0.0 109.057 171.328 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.9 7.34 87.37 Favored Glycine 0 N--CA 1.43 -1.722 0 CA-C-O 125.779 2.877 . . . . 0.0 113.633 164.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG12 ' SG ' ' A' ' 19' ' ' CYS . 4.3 p -74.28 -35.43 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 166.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -94.72 -34.46 12.54 Favored 'General case' 0 CA--C 1.488 -1.416 3 C-N-CA 132.957 4.503 . . . . 0.0 115.725 26.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -144.7 148.09 33.78 Favored 'General case' 0 N--CA 1.426 -1.65 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -169.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.402 ' SG ' HG12 ' A' ' 15' ' ' VAL . 61.2 m -74.92 -12.91 60.46 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.047 2.139 . . . . 0.0 114.975 -168.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -151.57 152.12 32.48 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 128.007 3.765 . . . . 0.0 109.002 153.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.25 118.0 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.568 2 O-C-N 112.663 -6.273 . . . . 0.0 97.408 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -99.69 -17.14 17.9 Favored 'General case' 0 N--CA 1.428 -1.551 0 C-N-CA 128.497 2.719 . . . . 0.0 115.666 32.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 . . -72.25 11.37 0.59 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 121.652 2.024 . . . . 0.0 111.289 -174.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.7 -17.12 62.25 Favored 'General case' 0 CA--C 1.486 -1.493 0 O-C-N 119.369 -2.082 . . . . 0.0 114.997 152.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.33 . . -121.06 96.99 5.32 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 118.097 2.628 . . . . 0.0 118.097 125.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.413 ' HA ' ' H ' ' A' ' 29' ' ' HIS . 8.0 p -129.35 148.61 51.28 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 159.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.433 13.6 t-20 83.79 -45.18 0.1 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.797 -2.44 . . . . 0.0 114.823 -141.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -52.73 -43.1 65.48 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 129.317 3.047 . . . . 0.0 112.04 152.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.547 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 21.6 t60 -155.42 177.33 11.48 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-O 126.857 3.218 . . . . 0.0 108.555 -154.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 5.5 mm -52.26 144.7 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 1 C-N-CA 131.99 4.116 . . . . 0.0 113.814 159.486 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.82 -1.8 . . . . 0.0 110.093 -168.131 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 CA--C 1.491 -1.316 0 CA-C-O 121.876 0.846 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -74.44 -40.31 62.01 Favored 'General case' 0 CA--C 1.49 -1.359 0 O-C-N 120.524 -1.36 . . . . 0.0 113.585 -173.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.604 . . 60.31 49.53 6.97 Favored 'General case' 0 N--CA 1.425 -1.707 0 O-C-N 124.545 1.153 . . . . 0.0 113.981 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 79.89 10.19 1.35 Allowed 'General case' 0 N--CA 1.421 -1.924 1 C-N-CA 134.17 4.988 . . . . 0.0 115.441 -171.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.89 64.64 0.46 Allowed 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 123.566 1.65 . . . . 0.0 107.1 -171.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 p -99.86 -23.11 15.06 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-O 125.886 2.755 . . . . 0.0 108.482 166.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -135.75 133.56 20.14 Favored Pre-proline 0 N--CA 1.429 -1.481 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 130.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -72.33 -5.98 18.19 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 O-C-N 113.743 -3.872 . . . . 0.0 113.598 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.89 35.52 1.98 Allowed Glycine 0 CA--C 1.481 -2.06 0 O-C-N 120.377 -1.452 . . . . 0.0 111.879 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.465 0.0 OUTLIER -59.44 -42.08 91.11 Favored 'General case' 0 N--CA 1.432 -1.337 1 N-CA-C 123.305 4.558 . . . . 0.0 123.305 -152.214 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.509 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 20.7 m -102.06 146.36 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.479 0 CA-C-N 121.742 2.065 . . . . 0.0 106.439 46.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.278 . . -94.0 -2.97 52.26 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 126.794 2.038 . . . . 0.0 107.378 157.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.509 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 92.96 -0.81 69.87 Favored Glycine 0 CA--C 1.484 -1.878 0 O-C-N 116.972 -3.58 . . . . 0.0 111.071 159.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.437 0.3 OUTLIER -71.87 -23.11 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 171.525 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 tp -69.89 -41.62 74.52 Favored 'General case' 0 CA--C 1.49 -1.333 1 C-N-CA 135.416 5.486 . . . . 0.0 117.741 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -146.35 149.73 34.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.845 -2.434 . . . . 0.0 111.684 -173.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 m -70.45 -29.32 65.85 Favored 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 118.241 -2.787 . . . . 0.0 110.294 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.3 139.73 33.7 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 125.12 2.39 . . . . 0.0 111.052 175.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 pt -131.37 160.47 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.861 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' ALA 0.338 1.4 tp-100 -83.95 9.69 11.64 Favored 'General case' 0 N--CA 1.428 -1.544 1 C-N-CA 133.393 4.677 . . . . 0.0 119.086 -22.717 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.252 . . -70.91 13.3 0.2 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 125.588 2.613 . . . . 0.0 113.183 159.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . -59.52 -31.05 69.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 130.663 3.585 . . . . 0.0 111.21 144.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.392 . . -126.23 103.96 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 125.996 2.807 . . . . 0.0 111.652 132.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.496 ' C ' ' H ' ' A' ' 28' ' ' CYS . 8.4 p -133.34 153.0 51.96 Favored 'General case' 0 N--CA 1.421 -1.907 1 C-N-CA 132.227 4.211 . . . . 0.0 102.448 160.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 t30 72.17 -27.9 0.18 Allowed 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 127.075 3.321 . . . . 0.0 111.736 -149.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.496 ' H ' ' C ' ' A' ' 26' ' ' CYS . 64.6 m -56.22 -52.73 63.38 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 115.749 -4.344 . . . . 0.0 109.737 156.114 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -157.03 -172.37 4.0 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 111.022 -2.808 . . . . 0.0 105.261 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.3 mm -33.05 137.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 129.978 3.311 . . . . 0.0 109.356 166.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.294 0 C-N-CA 127.782 2.433 . . . . 0.0 110.192 -174.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 87.6 m95 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 123.847 1.784 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.64 -40.75 80.15 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 118.307 2.706 . . . . 0.0 118.307 -167.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.702 . . 40.15 54.0 2.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 119.434 3.124 . . . . 0.0 119.434 -159.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 72.95 13.24 4.99 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 126.483 1.913 . . . . 0.0 114.17 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.36 76.29 1.15 Allowed 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 129.079 2.952 . . . . 0.0 115.278 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.52 -36.52 13.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 116.874 -3.641 . . . . 0.0 106.11 163.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -138.61 142.13 33.35 Favored Pre-proline 0 N--CA 1.426 -1.664 1 N-CA-C 95.451 -5.759 . . . . 0.0 95.451 153.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.84 -24.32 34.24 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 122.082 1.855 . . . . 0.0 116.683 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.32 42.33 1.48 Allowed Glycine 0 N--CA 1.431 -1.694 0 O-C-N 118.317 -2.739 . . . . 0.0 108.402 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -56.34 -47.96 77.75 Favored 'General case' 0 CA--C 1.493 -1.244 1 N-CA-C 123.097 4.48 . . . . 0.0 123.097 -155.502 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.1 m -82.98 144.17 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 1 O-C-N 115.16 -4.712 . . . . 0.0 111.904 29.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . . . -96.5 17.87 15.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 167.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.94 3.38 59.91 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 125.837 1.684 . . . . 0.0 109.37 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.12 -37.1 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-O 115.238 -2.315 . . . . 0.0 112.652 167.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.28 -46.59 19.84 Favored 'General case' 0 CA--C 1.488 -1.408 2 C-N-CA 136.769 6.027 . . . . 0.0 110.893 13.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -127.47 135.17 50.04 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-O 113.3 -3.238 . . . . 0.0 112.918 -164.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.1 m -76.09 -19.86 58.19 Favored 'General case' 0 N--CA 1.424 -1.763 0 O-C-N 117.55 -3.219 . . . . 0.0 111.902 -178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -135.93 164.16 28.61 Favored 'General case' 0 N--CA 1.422 -1.865 1 O-C-N 114.645 -5.034 . . . . 0.0 112.4 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 pt -144.21 168.09 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.533 0 CA-C-N 121.58 1.991 . . . . 0.0 111.457 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -74.63 -14.81 60.81 Favored 'General case' 0 N--CA 1.426 -1.626 0 C-N-CA 128.961 2.904 . . . . 0.0 115.856 -32.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . . . -86.69 20.24 2.61 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.908 1.337 . . . . 0.0 112.68 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.9 -26.35 68.11 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 118.806 -2.434 . . . . 0.0 110.916 142.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -127.19 101.06 6.34 Favored 'General case' 0 N--CA 1.425 -1.725 0 O-C-N 117.446 -3.284 . . . . 0.0 113.681 141.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 p -136.78 140.05 42.25 Favored 'General case' 0 N--CA 1.43 -1.473 1 N-CA-C 95.594 -5.706 . . . . 0.0 95.594 168.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 85.31 -31.06 0.06 Allowed 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 125.698 1.874 . . . . 0.0 107.642 -145.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -70.94 -30.06 66.26 Favored 'General case' 0 N--CA 1.426 -1.641 0 O-C-N 120.273 -1.517 . . . . 0.0 111.887 155.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.705 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 9.1 t60 -164.45 176.12 9.32 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.28 -1.782 . . . . 0.0 112.348 -158.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.705 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 35.4 mm -60.93 132.58 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.75 0 CA-C-O 123.322 1.534 . . . . 0.0 111.817 168.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.649 0 CA-C-O 114.846 -2.502 . . . . 0.0 111.331 -169.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.5 m95 . . . . . 0 CA--C 1.492 -1.277 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' A' ' 13' ' ' THR . 80.6 mttt -62.12 -48.26 80.94 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.749 . . 62.64 62.78 1.06 Allowed 'General case' 0 N--CA 1.423 -1.81 0 C-N-CA 130.673 3.589 . . . . 0.0 119.297 165.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.279 11.8 mm100 72.54 54.89 0.15 Allowed 'General case' 0 CA--C 1.486 -1.519 0 C-N-CA 130.403 3.481 . . . . 0.0 104.866 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.99 95.49 1.98 Allowed 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 127.273 3.416 . . . . 0.0 109.86 -171.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' O ' HG23 ' A' ' 8' ' ' THR . 27.3 p -112.67 -8.56 13.78 Favored 'General case' 0 CA--C 1.488 -1.427 1 CA-C-O 128.839 4.161 . . . . 0.0 112.918 165.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 7' ' ' CYS . . . -150.01 134.87 9.56 Favored Pre-proline 0 N--CA 1.428 -1.548 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 133.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.24 -11.56 31.81 Favored 'Trans proline' 0 N--CA 1.431 -2.156 0 N-CA-C 119.514 2.852 . . . . 0.0 119.514 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.5 43.25 1.26 Allowed Glycine 0 N--CA 1.43 -1.721 0 N-CA-C 107.455 -2.258 . . . . 0.0 107.455 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 13' ' ' THR 0.46 0.1 OUTLIER -63.16 -47.43 82.7 Favored 'General case' 0 N--CA 1.423 -1.801 1 N-CA-C 126.592 5.775 . . . . 0.0 126.592 -158.438 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 17.5 m -82.76 155.98 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 1 O-C-N 113.997 -5.439 . . . . 0.0 112.147 35.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.708 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.25 . . -113.19 15.38 19.42 Favored 'General case' 0 CA--C 1.484 -1.569 0 O-C-N 119.435 -2.041 . . . . 0.0 108.213 162.687 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.463 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 75.19 0.86 62.28 Favored Glycine 0 CA--C 1.484 -1.892 1 CA-C-O 129.396 4.887 . . . . 0.0 113.357 163.12 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.425 4.8 p -71.37 -42.11 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 116.105 -4.173 . . . . 0.0 114.438 170.69 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.73 -39.62 8.56 Favored 'General case' 0 N--CA 1.429 -1.501 1 C-N-CA 136.648 5.979 . . . . 0.0 112.36 37.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -144.99 157.8 44.01 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 112.43 -2.168 . . . . 0.0 113.026 -170.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MDH . . . . . 0.431 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 m -75.82 -42.31 50.21 Favored 'General case' 0 N--CA 1.428 -1.539 1 O-C-N 115.926 -4.234 . . . . 0.0 110.935 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -133.82 138.59 45.75 Favored 'General case' 0 CA--C 1.491 -1.297 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 166.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.3 pt -123.47 135.85 61.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 N-CA-C 101.355 -3.572 . . . . 0.0 101.355 -167.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.312 5.8 tp60 -99.98 -8.89 23.35 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 124.955 3.525 . . . . 0.0 114.212 16.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.356 . . -66.73 9.52 0.18 Allowed 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 124.524 2.107 . . . . 0.0 116.657 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 18' ' ' MDH . . . -63.14 -32.22 73.55 Favored 'General case' 0 CA--C 1.487 -1.459 0 O-C-N 117.992 -2.943 . . . . 0.0 112.465 155.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -115.47 104.25 11.57 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 113.558 -3.257 . . . . 0.0 113.13 132.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.1 141.13 36.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 101.679 -3.452 . . . . 0.0 101.679 157.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 76.31 -10.83 1.24 Allowed 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 128.37 3.544 . . . . 0.0 112.854 -142.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.0 m -79.49 -54.32 6.02 Favored 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 120.827 -1.171 . . . . 0.0 112.985 147.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -142.68 -135.56 0.1 Allowed 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 127.701 2.4 . . . . 0.0 113.223 161.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 21.7 mm -67.14 141.54 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -166.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.374 0 O-C-N 116.336 -3.978 . . . . 0.0 105.909 -171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.2 m95 . . . . . 0 CA--C 1.486 -1.482 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.639 ' HA ' HG22 ' A' ' 13' ' ' THR . 69.9 mttt -72.83 -38.36 67.16 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 -175.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.571 . . 45.54 57.59 4.85 Favored 'General case' 0 N--CA 1.426 -1.639 0 C-N-CA 127.398 2.279 . . . . 0.0 113.121 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 77.03 3.21 3.31 Favored 'General case' 0 CA--C 1.49 -1.344 1 C-N-CA 132.555 4.342 . . . . 0.0 109.044 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.33 70.79 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 113.338 -1.756 . . . . 0.0 113.127 -169.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 p -131.47 -22.98 2.4 Favored 'General case' 0 CA--C 1.488 -1.439 1 CA-C-O 129.024 4.25 . . . . 0.0 108.217 174.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' CYS . . . -128.37 138.84 33.91 Favored Pre-proline 0 N--CA 1.429 -1.488 0 CA-C-N 110.752 -2.931 . . . . 0.0 104.954 124.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 75.1 Cg_endo -77.14 -20.26 12.98 Favored 'Trans proline' 0 C--N 1.294 -2.29 0 C-N-CA 125.032 3.821 . . . . 0.0 113.929 -168.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' HA3' ' HG3' ' A' ' 17' ' ' GLN . . . -130.54 36.28 2.33 Favored Glycine 0 N--CA 1.423 -2.217 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' THR 0.302 0.1 OUTLIER -58.11 -45.72 86.76 Favored 'General case' 0 N--CA 1.425 -1.711 1 N-CA-C 126.568 5.766 . . . . 0.0 126.568 -146.775 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 22.5 m -75.26 154.1 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 O-C-N 118.107 -2.87 . . . . 0.0 114.528 29.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -106.15 9.13 32.35 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 157.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.559 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 81.08 -3.2 77.89 Favored Glycine 0 N--CA 1.426 -1.967 0 C-N-CA 130.322 3.82 . . . . 0.0 114.414 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' HA ' ' A' ' 16' ' ' LEU 0.55 0.3 OUTLIER -61.47 -53.68 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 170.239 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HA ' ' N ' ' A' ' 15' ' ' VAL . 8.2 mp -98.85 -47.34 5.32 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 118.482 -2.636 . . . . 0.0 113.17 33.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG3' ' HA3' ' A' ' 10' ' ' GLY . 5.3 tt0 -119.62 129.74 54.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 127.82 3.2 . . . . 0.0 112.265 -158.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HB2' HG21 ' A' ' 13' ' ' THR . 43.1 m -97.1 -10.07 26.74 Favored 'General case' 0 N--CA 1.426 -1.665 1 O-C-N 110.863 -7.398 . . . . 0.0 111.754 -175.224 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -137.56 141.59 41.36 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-O 116.033 -1.936 . . . . 0.0 111.518 172.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' GLN . 62.0 mt -116.02 132.13 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-N 122.636 2.471 . . . . 0.0 111.39 168.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 22.8 tt0 -98.92 -9.01 24.71 Favored 'General case' 0 N--CA 1.424 -1.75 1 C-N-CA 133.928 4.891 . . . . 0.0 112.59 -13.19 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 . . -74.99 15.61 0.38 Allowed 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 123.577 2.899 . . . . 0.0 110.895 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 9' ' ' PRO . . . -62.23 -30.81 71.36 Favored 'General case' 0 CA--C 1.492 -1.258 0 O-C-N 116.793 -3.692 . . . . 0.0 112.637 147.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.413 . . -105.61 86.92 2.48 Favored 'General case' 0 N--CA 1.426 -1.657 0 O-C-N 117.615 -3.178 . . . . 0.0 108.685 143.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.61 143.11 47.14 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 148.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.23 -14.75 0.24 Allowed 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 128.873 2.869 . . . . 0.0 110.515 -134.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.93 -37.46 84.37 Favored 'General case' 0 N--CA 1.431 -1.408 1 O-C-N 116.047 -4.158 . . . . 0.0 116.461 153.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -152.86 -68.44 0.16 Allowed 'General case' 0 CA--C 1.484 -1.588 0 CA-C-N 120.605 1.548 . . . . 0.0 107.335 97.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -78.1 134.66 27.78 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -160.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.952 1 O-C-N 116.056 -4.152 . . . . 0.0 110.894 -166.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 85.8 m95 . . . . . 0 CA--C 1.488 -1.423 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' A' ' 13' ' ' THR . 94.3 mttt -68.95 -45.61 70.3 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 120.533 3.531 . . . . 0.0 120.533 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.449 . . 41.31 61.44 1.79 Allowed 'General case' 0 CA--C 1.482 -1.637 2 O-C-N 115.653 -4.404 . . . . 0.0 113.652 -169.497 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 84.27 12.76 0.31 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.766 1.916 . . . . 0.0 109.179 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.34 90.39 0.96 Allowed 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 125.465 2.555 . . . . 0.0 117.046 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 p -154.95 -19.93 0.12 Allowed 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.28 . . -121.29 138.55 28.24 Favored Pre-proline 0 N--CA 1.429 -1.502 0 CA-C-O 112.857 -3.449 . . . . 0.0 111.909 109.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . 0.284 30.3 Cg_endo -70.78 -17.43 32.97 Favored 'Trans proline' 0 C--N 1.294 -2.294 0 C-N-CA 125.047 3.831 . . . . 0.0 113.96 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.06 47.03 0.96 Allowed Glycine 0 N--CA 1.43 -1.764 0 CA-C-O 116.047 -2.529 . . . . 0.0 110.937 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' H ' HG23 ' A' ' 13' ' ' THR 0.353 0.0 OUTLIER -59.5 -47.47 85.41 Favored 'General case' 0 CA--C 1.478 -1.813 1 N-CA-C 123.216 4.525 . . . . 0.0 123.216 -154.296 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -82.77 148.66 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 1 CA-C-O 128.562 4.03 . . . . 0.0 112.475 34.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -99.61 1.05 43.31 Favored 'General case' 0 N--CA 1.427 -1.603 1 O-C-N 114.233 -5.292 . . . . 0.0 106.71 168.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.14 -5.01 85.36 Favored Glycine 0 N--CA 1.421 -2.357 1 O-C-N 129.664 4.353 . . . . 0.0 112.809 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.36 -29.62 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 121.783 3.994 . . . . 0.0 121.783 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.4 mm? -57.13 -45.2 83.69 Favored 'General case' 0 N--CA 1.431 -1.414 2 O-C-N 113.458 -5.776 . . . . 0.0 112.746 -11.632 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . 0.264 10.9 pt20 -145.58 155.88 43.33 Favored 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 125.419 1.699 . . . . 0.0 111.393 -156.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 m -74.85 -41.69 59.37 Favored 'General case' 0 N--CA 1.429 -1.522 1 O-C-N 115.955 -4.215 . . . . 0.0 115.488 -177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -123.95 148.75 46.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 128.086 3.366 . . . . 0.0 105.605 159.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.563 HG13 ' HA ' ' A' ' 22' ' ' GLN . 6.0 tt -138.71 138.41 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.582 0 C-N-CA 129.672 3.189 . . . . 0.0 106.082 -176.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.563 ' HA ' HG13 ' A' ' 21' ' ' ILE . 4.5 tp60 -94.16 -8.5 39.27 Favored 'General case' 0 N--CA 1.425 -1.697 2 O-C-N 115.821 -4.3 . . . . 0.0 115.989 13.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.375 . . -70.9 10.14 0.58 Allowed 'General case' 0 N--CA 1.432 -1.358 0 CA-C-O 123.271 1.51 . . . . 0.0 112.851 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.95 -22.98 63.12 Favored 'General case' 0 N--CA 1.42 -1.962 1 O-C-N 116.06 -4.15 . . . . 0.0 112.498 158.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -126.2 101.29 6.69 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-O 126.45 3.024 . . . . 0.0 107.916 135.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 p -129.32 153.17 48.09 Favored 'General case' 0 N--CA 1.427 -1.598 1 N-CA-C 99.518 -4.253 . . . . 0.0 99.518 158.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 t30 69.86 -37.0 0.36 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 126.683 3.135 . . . . 0.0 111.07 -135.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.2 m -66.66 -46.66 75.02 Favored 'General case' 0 N--CA 1.425 -1.704 1 O-C-N 113.591 -5.693 . . . . 0.0 114.263 165.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -122.4 179.72 4.48 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 109.079 -3.691 . . . . 0.0 105.203 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mm -27.71 135.5 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.755 0 C-N-CA 129.549 3.139 . . . . 0.0 113.151 141.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.834 1 O-C-N 116.241 -4.037 . . . . 0.0 112.185 -169.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 24.2 m95 . . . . . 0 CA--C 1.483 -1.613 0 CA-C-O 123.693 1.711 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' A' ' 13' ' ' THR . 76.2 mttt -82.13 -55.04 4.8 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.54 -1.975 . . . . 0.0 113.682 -159.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.687 . . 55.99 46.1 22.51 Favored 'General case' 0 N--CA 1.432 -1.347 1 N-CA-C 123.423 4.601 . . . . 0.0 123.423 -168.837 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 88.32 2.71 0.31 Allowed 'General case' 0 CA--C 1.488 -1.404 1 C-N-CA 132.573 4.349 . . . . 0.0 103.545 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -159.97 72.76 0.51 Allowed 'General case' 0 N--CA 1.432 -1.366 0 O-C-N 127.727 3.142 . . . . 0.0 111.128 -173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -134.69 -38.18 0.82 Allowed 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 104.722 -2.325 . . . . 0.0 104.722 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -116.11 127.62 26.63 Favored Pre-proline 0 N--CA 1.427 -1.601 0 CA-C-N 111.313 -2.676 . . . . 0.0 104.258 130.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -75.46 -16.66 19.1 Favored 'Trans proline' 0 C--N 1.301 -1.932 0 O-C-N 116.208 -2.575 . . . . 0.0 116.801 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.78 40.44 1.68 Allowed Glycine 0 N--CA 1.429 -1.78 0 CA-C-N 110.941 -2.845 . . . . 0.0 107.513 172.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -40.46 87.02 Favored 'General case' 0 N--CA 1.432 -1.358 1 N-CA-C 126.004 5.557 . . . . 0.0 126.004 -162.057 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 m -94.02 147.1 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 C-N-CA 131.587 3.955 . . . . 0.0 110.177 30.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.73 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -90.54 8.05 35.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.423 -1.262 . . . . 0.0 113.375 164.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.17 2.78 90.64 Favored Glycine 0 N--CA 1.433 -1.537 0 CA-C-O 116.492 -2.282 . . . . 0.0 114.634 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' N ' ' HA ' ' A' ' 16' ' ' LEU 0.274 0.6 OUTLIER -79.97 -17.4 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 O-C-N 129.637 3.787 . . . . 0.0 119.463 173.062 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HA ' ' N ' ' A' ' 15' ' ' VAL . 10.4 mp -73.82 -47.73 36.48 Favored 'General case' 0 N--CA 1.431 -1.398 1 C-N-CA 132.883 4.473 . . . . 0.0 114.174 -9.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -110.19 140.55 44.19 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 126.247 1.819 . . . . 0.0 109.062 -175.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.6 m -97.28 -1.18 45.26 Favored 'General case' 0 N--CA 1.425 -1.724 0 C-N-CA 123.499 0.72 . . . . 0.0 110.291 -163.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' HG22 ' A' ' 23' ' ' THR . 22.5 t80 -140.82 147.36 38.89 Favored 'General case' 0 N--CA 1.434 -1.247 0 O-C-N 121.365 -0.834 . . . . 0.0 108.833 158.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.0 mt -129.89 120.97 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.483 0 CA-C-O 114.839 -2.505 . . . . 0.0 109.183 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.292 1.8 tp60 -70.92 -46.06 63.15 Favored 'General case' 0 N--CA 1.426 -1.626 1 C-N-CA 134.686 5.194 . . . . 0.0 113.482 7.493 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' CD2' ' A' ' 20' ' ' PHE 0.502 . . -52.91 4.48 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.571 1 N-CA-C 121.861 4.022 . . . . 0.0 121.861 -150.455 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 4.3 19.29 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 118.754 -2.466 . . . . 0.0 116.454 153.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.481 ' C ' ' HA ' ' A' ' 23' ' ' THR 0.287 . . -140.3 132.79 28.59 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 127.578 3.561 . . . . 0.0 112.756 99.289 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.5 p -148.61 148.88 30.63 Favored 'General case' 0 CA--C 1.488 -1.409 2 C-N-CA 137.02 6.128 . . . . 0.0 95.328 159.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.298 66.8 m-20 67.93 -22.44 0.12 Allowed 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -167.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -7.8 53.93 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 128.049 2.54 . . . . 0.0 111.606 144.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' CG ' ' N ' ' A' ' 30' ' ' ILE . 65.6 t60 -159.5 -174.35 4.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 O-C-N 117.205 -3.435 . . . . 0.0 110.255 -166.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.514 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 6.4 mm -59.31 115.5 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 127.058 2.143 . . . . 0.0 109.196 159.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.379 0.0 OUTLIER . . . . . 0 C--O 1.263 1.781 0 CA-C-O 116.899 -1.525 . . . . 0.0 111.773 -165.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.2 m95 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.509 0.671 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 13' ' ' THR . 87.0 mttt -88.01 -54.3 4.29 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 123.675 0.79 . . . . 0.0 113.118 -156.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.657 . . 50.5 67.2 0.96 Allowed 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 -166.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 69.26 6.65 5.79 Favored 'General case' 0 CA--C 1.491 -1.293 0 C-N-CA 131.182 3.793 . . . . 0.0 118.531 -165.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . 0.392 30.9 p90 -162.61 59.4 0.21 Allowed 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.648 -166.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -107.83 -18.94 13.68 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 121.055 1.752 . . . . 0.0 109.733 156.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -125.55 136.11 27.86 Favored Pre-proline 0 N--CA 1.43 -1.446 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 135.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -81.56 -10.76 11.92 Favored 'Trans proline' 0 N--CA 1.432 -2.117 0 CA-C-N 128.137 3.942 . . . . 0.0 107.682 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.93 47.67 0.88 Allowed Glycine 0 CA--C 1.481 -2.08 0 O-C-N 116.906 -3.622 . . . . 0.0 112.76 168.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.4 -36.35 83.85 Favored 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 123.442 4.608 . . . . 0.0 123.442 -159.746 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.273 24.7 m -86.77 144.78 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 1 C-N-CA 135.901 5.68 . . . . 0.0 110.609 31.467 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.251 . . -98.73 0.03 43.71 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 118.648 -2.533 . . . . 0.0 110.686 170.531 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.62 90.66 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 128.961 3.172 . . . . 0.0 112.935 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.325 0.3 OUTLIER -76.98 -19.83 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.545 0 O-C-N 127.414 2.479 . . . . 0.0 117.027 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mt -81.0 -40.73 23.84 Favored 'General case' 0 CA--C 1.491 -1.318 3 C-N-CA 133.614 4.766 . . . . 0.0 112.65 0.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.5 148.46 48.86 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.2 m -79.23 -6.76 57.36 Favored 'General case' 0 N--CA 1.426 -1.64 0 O-C-N 116.504 -3.873 . . . . 0.0 117.532 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -149.54 159.38 44.36 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 151.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 pt -136.09 145.26 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.451 2.3 . . . . 0.0 108.704 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.343 3.1 tp-100 -104.97 1.88 29.15 Favored 'General case' 0 N--CA 1.423 -1.786 0 O-C-N 116.583 -3.823 . . . . 0.0 118.473 6.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.486 . . -59.56 8.21 0.02 OUTLIER 'General case' 0 N--CA 1.424 -1.768 0 O-C-N 116.729 -3.732 . . . . 0.0 118.229 158.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -7.73 53.89 Favored 'General case' 0 N--CA 1.433 -1.314 1 N-CA-C 121.845 4.017 . . . . 0.0 121.845 149.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -119.2 106.8 12.71 Favored 'General case' 0 N--CA 1.427 -1.599 0 C-N-CA 117.518 -1.673 . . . . 0.0 109.292 118.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 p -146.97 143.53 28.52 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 100.435 -3.913 . . . . 0.0 100.435 154.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.391 10.5 t-20 81.64 -35.3 0.1 Allowed 'General case' 0 CA--C 1.484 -1.562 0 O-C-N 120.961 -1.087 . . . . 0.0 112.008 -121.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 m -78.74 -52.06 8.91 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-O 123.863 1.792 . . . . 0.0 113.029 167.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 54.8 t-80 -162.97 164.18 25.84 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 153.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.484 ' H ' HG13 ' A' ' 30' ' ' ILE 0.27 17.2 mt -36.95 142.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.428 -1.564 0 C-N-CA 131.033 3.733 . . . . 0.0 115.968 -166.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.551 0 CA-C-O 116.828 -1.558 . . . . 0.0 114.884 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 CA--C 1.49 -1.352 0 CA-C-O 122.424 1.107 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -74.96 -39.64 61.21 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 120.287 -1.508 . . . . 0.0 108.123 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.85 . . 61.98 56.96 2.2 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 117.115 -3.491 . . . . 0.0 118.643 166.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.442 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 13.8 mm100 76.85 7.15 3.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 130.242 3.417 . . . . 0.0 108.972 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 4' ' ' GLN . 0.9 OUTLIER -159.99 65.14 0.35 Allowed 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.915 -1.116 . . . . 0.0 110.197 -166.689 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.53 -16.95 5.68 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 123.732 1.729 . . . . 0.0 109.355 158.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -124.01 124.91 25.92 Favored Pre-proline 0 N--CA 1.428 -1.574 0 N-CA-C 100.521 -3.881 . . . . 0.0 100.521 128.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -73.18 -15.42 25.6 Favored 'Trans proline' 0 CA--C 1.479 -2.238 1 C-N-CA 126.667 4.911 . . . . 0.0 117.098 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.5 41.56 1.31 Allowed Glycine 0 CA--C 1.487 -1.666 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 172.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -54.53 -53.04 59.68 Favored 'General case' 0 CA--C 1.487 -1.475 1 N-CA-C 127.387 6.069 . . . . 0.0 127.387 -160.605 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -84.14 138.29 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 1 O-C-N 111.855 -6.778 . . . . 0.0 112.609 40.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 11' ' ' CYS . . . -96.47 6.45 48.72 Favored 'General case' 0 N--CA 1.432 -1.34 1 O-C-N 115.215 -4.678 . . . . 0.0 101.611 173.565 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 3.75 72.97 Favored Glycine 0 N--CA 1.429 -1.825 0 CA-C-O 126.113 3.063 . . . . 0.0 108.263 148.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 19' ' ' CYS . 11.0 p -80.02 -19.45 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.565 0 C-N-CA 129.288 3.035 . . . . 0.0 114.603 171.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.423 -1.79 1 C-N-CA 140.939 7.696 . . . . 0.0 117.088 1.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -137.23 167.81 20.84 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' SG ' HG12 ' A' ' 15' ' ' VAL . 56.1 m -86.96 -25.47 24.32 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -131.45 133.76 45.52 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 126.378 2.99 . . . . 0.0 111.119 162.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.0 mt -121.58 128.26 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 104.616 -2.364 . . . . 0.0 104.616 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' A' ' 32' ' ' LYS . 1.4 tp-100 -90.48 -10.4 43.8 Favored 'General case' 0 N--CA 1.426 -1.674 2 C-N-CA 132.624 4.369 . . . . 0.0 118.956 8.315 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 . . -85.09 14.82 4.61 Favored 'General case' 0 CA--C 1.488 -1.408 0 O-C-N 116.883 -3.636 . . . . 0.0 112.698 -168.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.27 64.19 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 119.425 -2.047 . . . . 0.0 115.798 149.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.31 . . -121.58 90.18 3.26 Favored 'General case' 0 CA--C 1.491 -1.307 0 CA-C-N 122.404 2.365 . . . . 0.0 109.564 136.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.285 23.0 p -131.5 147.71 52.57 Favored 'General case' 0 N--CA 1.426 -1.644 1 N-CA-C 97.99 -4.819 . . . . 0.0 97.99 162.003 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.51 54.0 m-80 77.56 -50.49 0.52 Allowed 'General case' 0 CA--C 1.496 -1.12 1 O-C-N 116.199 -4.063 . . . . 0.0 113.358 -129.547 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.6 -52.33 64.84 Favored 'General case' 0 CA--C 1.484 -1.59 0 O-C-N 126.892 2.62 . . . . 0.0 117.489 162.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 30' ' ' ILE . 64.8 t60 -147.82 -179.78 7.15 Favored 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 131.385 3.874 . . . . 0.0 110.537 -157.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' N ' ' CG ' ' A' ' 29' ' ' HIS 0.265 7.9 mm -48.29 126.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 C-N-CA 126.538 1.935 . . . . 0.0 112.877 168.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 22' ' ' GLN 0.349 0.0 OUTLIER . . . . . 0 C--O 1.265 1.878 0 CA-C-N 120.605 1.548 . . . . 0.0 108.272 -169.294 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.4 m95 . . . . . 0 CA--C 1.496 -1.127 0 CA-C-O 115.086 -2.388 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.96 -52.05 64.5 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.486 . . 35.53 62.47 0.61 Allowed 'General case' 0 N--CA 1.426 -1.673 1 C-N-CA 136.036 5.734 . . . . 0.0 117.427 -158.27 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.89 21.82 12.39 Favored 'General case' 0 N--CA 1.426 -1.652 0 O-C-N 126.877 2.611 . . . . 0.0 115.555 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.31 73.39 0.73 Allowed 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 117.883 -3.011 . . . . 0.0 114.451 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.91 -42.13 16.66 Favored 'General case' 0 CA--C 1.482 -1.668 0 CA-C-N 109.392 -3.549 . . . . 0.0 110.092 155.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -133.7 138.08 30.18 Favored Pre-proline 0 N--CA 1.429 -1.493 0 CA-C-N 108.817 -3.81 . . . . 0.0 105.54 146.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -63.18 -19.2 68.13 Favored 'Trans proline' 0 N--CA 1.434 -1.992 1 C-N-CA 127.027 5.151 . . . . 0.0 116.421 -169.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.94 29.46 1.83 Allowed Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 104.229 -3.548 . . . . 0.0 104.229 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -48.13 -54.81 12.02 Favored 'General case' 0 CA--C 1.483 -1.626 1 N-CA-C 124.444 4.979 . . . . 0.0 124.444 -152.137 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.62 148.42 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.771 1 O-C-N 114.603 -5.061 . . . . 0.0 114.203 30.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 . . -91.47 12.33 21.06 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 166.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.35 -5.87 81.78 Favored Glycine 0 CA--C 1.488 -1.625 0 O-C-N 120.777 -1.202 . . . . 0.0 111.803 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' SG ' ' A' ' 19' ' ' CYS 0.353 0.8 OUTLIER -75.2 -29.95 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 N-CA-C 119.59 3.182 . . . . 0.0 119.59 173.388 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.57 -44.35 12.72 Favored 'General case' 0 N--CA 1.428 -1.531 3 C-N-CA 137.336 6.254 . . . . 0.0 112.42 7.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -118.4 149.47 41.17 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' SG ' HG12 ' A' ' 15' ' ' VAL . 71.9 m -96.81 -15.91 21.06 Favored 'General case' 0 N--CA 1.424 -1.743 0 O-C-N 116.381 -3.95 . . . . 0.0 106.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 2.4 t80 -126.86 134.49 50.5 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 125.722 2.677 . . . . 0.0 110.389 172.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.98 122.81 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.481 171.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.49 -43.3 40.26 Favored 'General case' 0 N--CA 1.423 -1.786 2 C-N-CA 134.165 4.986 . . . . 0.0 111.591 2.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.445 . . -75.73 16.47 0.39 Allowed 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -150.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 20' ' ' PHE . . . -72.51 -13.65 61.47 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-O 113.129 -3.319 . . . . 0.0 116.342 142.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.271 . . -120.98 90.84 3.4 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 125.515 1.76 . . . . 0.0 111.647 137.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -140.93 138.47 33.85 Favored 'General case' 0 N--CA 1.427 -1.577 1 N-CA-C 95.84 -5.615 . . . . 0.0 95.84 160.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.506 45.7 m-20 86.69 -29.23 0.06 Allowed 'General case' 0 N--CA 1.433 -1.282 1 O-C-N 131.72 5.638 . . . . 0.0 109.184 -135.977 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 m -75.53 -15.14 60.42 Favored 'General case' 0 CA--C 1.485 -1.526 1 CA-C-O 128.877 4.179 . . . . 0.0 117.534 154.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.601 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 41.3 t60 -177.09 -174.01 0.49 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.882 -155.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.601 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 11.9 mm -74.14 153.18 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.545 0 CA-C-O 123.709 1.718 . . . . 0.0 109.037 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? . . . . . 0 C--O 1.265 1.881 0 CA-C-N 120.337 1.426 . . . . 0.0 109.554 -152.649 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.329 80.0 m95 . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HA ' HG22 ' A' ' 13' ' ' THR . 90.2 mttt -81.35 -50.53 9.38 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -164.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.619 . . 46.01 67.59 0.73 Allowed 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -164.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 78.26 9.6 2.11 Favored 'General case' 0 CA--C 1.483 -1.617 0 O-C-N 118.696 -2.502 . . . . 0.0 113.75 132.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -131.35 155.21 47.64 Favored 'General case' 0 CA--C 1.487 -1.476 0 N-CA-C 100.443 -3.91 . . . . 0.0 100.443 -28.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.57 -6.17 13.96 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.923 -152.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.308 . . -115.6 126.79 27.37 Favored Pre-proline 0 CA--C 1.483 -1.597 0 CA-C-O 114.576 -2.63 . . . . 0.0 104.231 120.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_exo -61.07 -17.61 53.03 Favored 'Trans proline' 0 CA--C 1.486 -1.923 1 CA-C-N 129.587 4.46 . . . . 0.0 114.931 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.96 43.16 1.3 Allowed Glycine 0 CA--C 1.49 -1.515 0 CA-C-O 116.014 -2.548 . . . . 0.0 108.475 171.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.52 89.32 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -158.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -85.76 151.43 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.54 1 O-C-N 115.205 -4.684 . . . . 0.0 107.047 35.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -99.62 12.08 37.49 Favored 'General case' 0 CA--C 1.481 -1.705 0 C-N-CA 127.404 2.282 . . . . 0.0 107.545 163.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.47 -1.62 56.4 Favored Glycine 0 N--CA 1.422 -2.268 0 C-N-CA 128.795 3.093 . . . . 0.0 110.801 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 69.2 t -58.91 -37.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 120.11 3.374 . . . . 0.0 120.11 169.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.07 -37.98 78.8 Favored 'General case' 0 N--CA 1.428 -1.542 1 C-N-CA 133.528 4.731 . . . . 0.0 114.891 -5.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -125.14 141.09 52.32 Favored 'General case' 0 CA--C 1.487 -1.473 0 O-C-N 127.244 2.84 . . . . 0.0 112.553 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.3 m -53.61 -35.77 61.25 Favored 'General case' 0 N--CA 1.421 -1.92 0 C-N-CA 130.456 3.502 . . . . 0.0 115.069 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -140.27 152.03 45.58 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 165.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.9 mt -140.47 120.11 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 N-CA-C 101.207 -3.627 . . . . 0.0 101.207 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -100.65 -11.86 19.66 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 127.299 2.24 . . . . 0.0 116.446 41.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.316 . . -67.43 17.46 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.266 1 O-C-N 116.159 -4.088 . . . . 0.0 117.182 176.127 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -17.5 64.29 Favored 'General case' 0 CA--C 1.485 -1.522 0 O-C-N 116.98 -3.575 . . . . 0.0 113.821 152.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -129.28 81.38 2.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 125.58 2.609 . . . . 0.0 107.016 144.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' HA ' ' H ' ' A' ' 29' ' ' HIS . 10.7 p -128.51 141.84 51.26 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 100.318 -3.956 . . . . 0.0 100.318 155.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t30 81.31 -30.31 0.11 Allowed 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 111.212 -2.722 . . . . 0.0 113.471 -128.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.93 -52.01 10.18 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.187 2.267 . . . . 0.0 111.272 157.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.642 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 74.3 t60 -147.16 -171.23 3.73 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 126.051 2.834 . . . . 0.0 110.667 -175.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 13.4 mm -48.17 129.82 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 CA-C-N 112.611 -2.086 . . . . 0.0 113.296 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER . . . . . 0 C--O 1.26 1.631 0 C-N-CA 126.58 1.952 . . . . 0.0 115.713 -155.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.0 m95 . . . . . 0 CA--C 1.487 -1.464 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.64 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -56.66 -54.79 41.97 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.947 . . 75.27 57.09 0.06 Allowed 'General case' 0 N--CA 1.432 -1.371 1 N-CA-C 125.544 5.387 . . . . 0.0 125.544 -164.999 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 85.92 56.64 0.01 OUTLIER 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 124.263 1.982 . . . . 0.0 114.879 151.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.33 153.32 28.83 Favored 'General case' 0 CA--C 1.488 -1.432 0 C-N-CA 113.408 -3.317 . . . . 0.0 104.428 162.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 p -129.5 -19.34 3.43 Favored 'General case' 0 N--CA 1.428 -1.567 0 O-C-N 117.371 -3.331 . . . . 0.0 105.615 -161.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' CYS . . . -122.29 133.27 24.29 Favored Pre-proline 0 N--CA 1.431 -1.42 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 148.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -72.44 -12.65 27.41 Favored 'Trans proline' 0 C--N 1.293 -2.351 0 CA-C-N 126.433 3.333 . . . . 0.0 111.554 -160.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' C ' ' HA ' ' A' ' 12' ' ' VAL . . . -135.79 48.61 0.92 Allowed Glycine 0 N--CA 1.428 -1.897 0 C-N-CA 130.134 3.731 . . . . 0.0 110.135 174.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' THR 0.33 0.0 OUTLIER -71.32 -25.29 62.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -161.206 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' HA ' ' C ' ' A' ' 10' ' ' GLY . 9.2 m -93.62 155.06 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.502 1 CA-C-N 127.604 4.729 . . . . 0.0 111.698 29.097 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.296 . . -98.1 8.84 44.17 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.445 172.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.2 -18.9 49.79 Favored Glycine 0 N--CA 1.429 -1.813 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.051 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.33 -51.15 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.213 0 C-N-CA 129.801 3.24 . . . . 0.0 119.071 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -98.86 -47.74 5.17 Favored 'General case' 0 CA--C 1.483 -1.599 1 C-N-CA 134.879 5.272 . . . . 0.0 114.703 15.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -90.12 112.69 24.24 Favored 'General case' 0 N--CA 1.425 -1.683 0 C-N-CA 127.881 2.472 . . . . 0.0 114.817 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MDH . . . . . 0.413 ' HG1' ' HA ' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.6 m -88.88 -3.06 58.85 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-O 123.626 1.679 . . . . 0.0 110.064 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -144.82 144.61 31.23 Favored 'General case' 0 CA--C 1.487 -1.48 0 O-C-N 120.133 -1.604 . . . . 0.0 114.812 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.8 118.29 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 CA-C-O 113.16 -3.305 . . . . 0.0 107.498 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -93.02 -11.35 33.32 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 125.627 3.831 . . . . 0.0 115.828 35.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.414 . . -77.42 10.74 2.35 Favored 'General case' 0 N--CA 1.422 -1.86 0 CA-C-N 123.378 2.808 . . . . 0.0 114.158 -173.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HA ' ' HG1' ' A' ' 18' ' ' MDH . . . -66.7 -16.82 64.5 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 117.267 -3.396 . . . . 0.0 115.3 149.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.337 . . -127.75 95.71 4.3 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-O 125.216 2.436 . . . . 0.0 109.229 128.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.483 ' HA ' ' H ' ' A' ' 29' ' ' HIS . 25.6 p -134.22 142.91 47.54 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.902 2.481 . . . . 0.0 104.525 150.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.335 1.9 t30 77.64 -13.72 0.92 Allowed 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 109.526 -3.488 . . . . 0.0 114.006 -148.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 m -67.49 -60.26 2.71 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 122.225 1.012 . . . . 0.0 110.771 135.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.642 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 38.1 t-80 -127.64 -151.58 0.48 Allowed 'General case' 0 CA--C 1.49 -1.362 1 C-N-CA 132.03 4.132 . . . . 0.0 111.86 -165.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 11.6 mm -85.12 139.94 16.72 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 C-N-CA 125.168 1.387 . . . . 0.0 110.522 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.382 0 CA-C-N 122.553 2.433 . . . . 0.0 107.491 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 28.0 m95 . . . . . 0 CA--C 1.492 -1.276 0 CA-C-O 113.165 -3.302 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HA ' HG22 ' A' ' 13' ' ' THR . 97.8 mttt -80.32 -52.81 7.25 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 125.614 1.821 . . . . 0.0 112.612 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.523 . . 52.18 56.03 8.33 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 126.932 3.253 . . . . 0.0 117.773 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 76.63 -6.56 1.99 Allowed 'General case' 0 N--CA 1.434 -1.253 1 CA-C-N 108.154 -4.112 . . . . 0.0 112.935 -170.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . 0.293 0.6 OUTLIER -159.12 69.73 0.47 Allowed 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 124.195 1.95 . . . . 0.0 114.346 -171.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.9 p -137.45 -33.18 0.74 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.524 -1.985 . . . . 0.0 106.548 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -117.8 144.48 34.55 Favored Pre-proline 0 N--CA 1.426 -1.648 0 CA-C-O 113.519 -3.134 . . . . 0.0 102.651 123.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.38 -29.34 4.9 Favored 'Trans proline' 0 N--CA 1.43 -2.23 0 CA-C-N 126.846 3.481 . . . . 0.0 114.584 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 52.59 0.83 Allowed Glycine 0 CA--C 1.483 -1.935 1 C-N-CA 132.254 4.74 . . . . 0.0 115.44 169.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.19 -42.18 96.78 Favored 'General case' 0 N--CA 1.427 -1.585 2 CA-C-N 104.802 -5.699 . . . . 0.0 123.164 -153.223 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.316 10.8 m -76.97 156.71 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 116.867 -3.645 . . . . 0.0 111.581 29.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.288 . . -108.33 5.83 25.89 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 170.338 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.74 -6.18 73.62 Favored Glycine 0 CA--C 1.484 -1.865 0 C-N-CA 123.654 0.645 . . . . 0.0 112.115 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.89 -33.29 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.394 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.18 -51.24 67.16 Favored 'General case' 0 N--CA 1.427 -1.594 2 C-N-CA 136.582 5.953 . . . . 0.0 115.164 -8.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -122.59 133.56 54.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.356 3.062 . . . . 0.0 114.247 -161.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.3 72.0 m -80.88 -22.74 39.56 Favored 'General case' 0 N--CA 1.432 -1.331 0 O-C-N 119.446 -2.034 . . . . 0.0 112.325 -173.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -139.18 139.5 37.56 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 126.387 1.875 . . . . 0.0 108.578 168.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.1 mt -143.44 140.29 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.823 1 C-N-CA 132.015 4.126 . . . . 0.0 102.986 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.78 -14.35 34.71 Favored 'General case' 0 N--CA 1.43 -1.426 1 C-N-CA 135.901 5.68 . . . . 0.0 117.875 11.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.575 . . -68.96 9.55 0.38 Allowed 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 126.739 3.161 . . . . 0.0 114.132 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.06 -22.92 67.13 Favored 'General case' 0 N--CA 1.426 -1.651 1 O-C-N 113.353 -5.842 . . . . 0.0 112.297 154.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -128.16 101.88 6.46 Favored 'General case' 0 N--CA 1.427 -1.617 0 O-C-N 127.97 3.294 . . . . 0.0 108.234 137.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 p -129.65 142.21 50.77 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 129.044 2.938 . . . . 0.0 105.772 152.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.506 25.3 m-80 87.4 -34.69 0.03 OUTLIER 'General case' 0 N--CA 1.426 -1.634 0 CA-C-O 124.589 2.138 . . . . 0.0 112.159 -143.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . 0.265 4.2 m -58.01 -40.48 80.89 Favored 'General case' 0 CA--C 1.487 -1.478 0 O-C-N 116.345 -3.972 . . . . 0.0 109.581 142.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.414 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 44.5 t-80 -160.96 -179.34 7.46 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.293 -1.504 . . . . 0.0 109.932 -155.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.414 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 12.6 mm -61.02 137.57 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.665 0 C-N-CA 129.5 3.12 . . . . 0.0 112.319 170.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.774 0 CA-C-O 123.775 1.75 . . . . 0.0 107.595 -167.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.4 m95 . . . . . 0 CA--C 1.5 -0.945 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -72.85 -27.59 62.02 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 118.753 2.872 . . . . 0.0 118.753 172.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.705 . . 59.22 36.4 23.77 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 111.535 -2.575 . . . . 0.0 114.582 157.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.425 71.2 mm-40 73.27 37.41 0.74 Allowed 'General case' 0 CA--C 1.487 -1.477 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -124.29 151.0 44.76 Favored 'General case' 0 N--CA 1.42 -1.942 0 O-C-N 118.031 -2.918 . . . . 0.0 110.106 -18.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 p -95.99 -24.08 16.54 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.588 2.43 . . . . 0.0 113.847 -171.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -139.75 135.75 16.94 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-N 108.428 -3.987 . . . . 0.0 105.393 150.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.49 -20.02 24.23 Favored 'Trans proline' 0 C--N 1.296 -2.188 0 CA-C-N 123.74 2.371 . . . . 0.0 114.929 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.81 46.69 1.05 Allowed Glycine 0 CA--C 1.485 -1.785 0 O-C-N 128.014 3.321 . . . . 0.0 112.244 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -46.67 46.04 Favored 'General case' 0 N--CA 1.425 -1.685 1 N-CA-C 122.645 4.313 . . . . 0.0 122.645 -144.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -91.49 145.4 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.507 0 O-C-N 118.123 -2.86 . . . . 0.0 114.92 44.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.329 . . -90.52 11.77 20.78 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 120.049 -1.657 . . . . 0.0 113.152 159.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.44 -7.55 81.24 Favored Glycine 0 CA--C 1.49 -1.49 0 N-CA-C 107.071 -2.412 . . . . 0.0 107.071 165.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.383 3.0 p -75.34 -38.86 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.9 -38.16 8.74 Favored 'General case' 0 N--CA 1.424 -1.76 2 CA-C-N 127.336 4.607 . . . . 0.0 108.742 29.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -127.66 140.52 52.03 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 112.886 -1.961 . . . . 0.0 108.928 -162.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MDH . . . . . 0.615 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -81.1 -24.39 37.76 Favored 'General case' 0 N--CA 1.425 -1.681 0 O-C-N 116.742 -3.724 . . . . 0.0 117.38 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -138.81 143.17 38.78 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 122.571 1.177 . . . . 0.0 108.765 165.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.7 mt -113.77 119.51 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 130.79 3.636 . . . . 0.0 104.127 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -88.43 -12.4 43.23 Favored 'General case' 0 N--CA 1.425 -1.689 1 C-N-CA 132.599 4.36 . . . . 0.0 119.095 37.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.411 . . -82.5 7.84 13.3 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 119.795 -1.816 . . . . 0.0 113.781 -161.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.615 ' HB2' ' HB ' ' A' ' 18' ' ' MDH . . . -69.05 -11.36 60.71 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 111.741 -2.482 . . . . 0.0 115.316 152.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -127.55 113.06 15.62 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 121.382 1.901 . . . . 0.0 114.194 116.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 p -144.9 151.6 38.94 Favored 'General case' 0 N--CA 1.425 -1.722 1 N-CA-C 97.064 -5.161 . . . . 0.0 97.064 164.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 65.75 -25.77 0.1 Allowed 'General case' 0 CA--C 1.486 -1.496 0 C-N-CA 128.276 2.631 . . . . 0.0 111.401 -139.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.54 -38.93 91.93 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 116.631 -3.793 . . . . 0.0 111.591 149.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 30' ' ' ILE . 32.6 t60 -159.71 177.23 11.07 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -152.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 33.8 mm -49.11 128.37 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-O 124.187 1.946 . . . . 0.0 114.264 165.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.718 0 CA-C-O 114.745 -2.55 . . . . 0.0 114.79 -163.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 58.5 m95 . . . . . 0 CA--C 1.487 -1.476 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.424 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -100.56 0.2 38.94 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.831 -159.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.368 . . 39.0 33.44 0.08 Allowed 'General case' 0 N--CA 1.429 -1.507 2 C-N-CA 139.034 6.933 . . . . 0.0 122.058 155.143 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 64.08 -18.76 0.07 Allowed 'General case' 0 N--CA 1.425 -1.722 1 O-C-N 114.449 -5.157 . . . . 0.0 114.976 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 8' ' ' THR . 6.4 p90 -149.78 168.05 24.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 154.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.95 -22.78 17.2 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 118.996 -2.315 . . . . 0.0 111.587 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -151.61 139.88 13.14 Favored Pre-proline 0 N--CA 1.421 -1.911 1 C-N-CA 133.604 4.762 . . . . 0.0 108.105 179.217 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -66.42 -25.91 48.28 Favored 'Trans proline' 0 C--N 1.296 -2.196 0 C-N-CA 123.029 2.486 . . . . 0.0 108.83 -167.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.97 43.24 1.21 Allowed Glycine 0 C--N 1.356 1.658 1 O-C-N 130.367 4.792 . . . . 0.0 108.528 173.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.378 0.0 OUTLIER -46.59 -56.36 6.19 Favored 'General case' 0 N--CA 1.429 -1.51 1 N-CA-C 125.062 5.208 . . . . 0.0 125.062 -158.447 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 22.2 m -91.88 138.0 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 CA-C-O 126.782 3.182 . . . . 0.0 113.237 37.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.329 . . -90.85 -4.3 56.7 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 110.861 -2.881 . . . . 0.0 112.236 154.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 71.6 20.19 78.33 Favored Glycine 0 CA--C 1.488 -1.652 0 O-C-N 119.214 -2.179 . . . . 0.0 113.781 158.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.251 4.8 p -88.78 -13.17 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 130.562 3.545 . . . . 0.0 115.08 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.29 -47.17 62.4 Favored 'General case' 0 CA--C 1.488 -1.441 2 C-N-CA 135.355 5.462 . . . . 0.0 115.826 -4.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -133.69 167.18 20.98 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-O 123.271 1.51 . . . . 0.0 112.143 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MDH . . . . . 0.413 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.4 m -90.17 19.62 4.92 Favored 'General case' 0 N--CA 1.425 -1.682 1 O-C-N 115.383 -4.573 . . . . 0.0 110.149 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' CD2' HG22 ' A' ' 23' ' ' THR . 27.2 t80 -152.96 154.02 34.14 Favored 'General case' 0 CA--C 1.49 -1.339 1 O-C-N 116.024 -4.173 . . . . 0.0 102.398 175.581 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 22' ' ' GLN . 43.0 mt -124.93 143.36 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 125.983 3.992 . . . . 0.0 108.238 164.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 15.7 tt0 -91.38 -11.76 36.86 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -23.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 20' ' ' PHE . . . -68.66 9.26 0.38 Allowed 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 18' ' ' MDH . . . -63.0 -17.7 62.49 Favored 'General case' 0 N--CA 1.425 -1.713 0 O-C-N 119.574 -1.954 . . . . 0.0 115.458 151.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.411 . . -117.42 100.63 7.79 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 126.86 3.219 . . . . 0.0 113.388 124.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' N ' ' HA ' ' A' ' 23' ' ' THR . 12.8 p -142.36 148.15 37.42 Favored 'General case' 0 CA--C 1.487 -1.462 0 O-C-N 117.071 -3.518 . . . . 0.0 103.038 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 62.47 -15.12 0.05 Allowed 'General case' 0 N--CA 1.428 -1.545 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.736 -136.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 m -62.81 -43.21 99.39 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 125.246 2.45 . . . . 0.0 116.66 141.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.472 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 71.0 t60 -155.02 -153.39 0.45 Allowed 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 104.129 -2.545 . . . . 0.0 104.129 171.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.472 ' H ' ' CG ' ' A' ' 29' ' ' HIS 0.545 16.7 mm -32.17 118.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.348 1 C-N-CA 134.299 5.04 . . . . 0.0 116.044 159.327 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.813 1 CA-C-N 126.04 4.018 . . . . 0.0 109.106 -168.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.2 m95 . . . . . 0 CA--C 1.488 -1.427 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.51 ' HA ' HG22 ' A' ' 13' ' ' THR . 87.5 mttt -63.78 -51.73 63.49 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 128.606 2.762 . . . . 0.0 111.331 -173.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.612 . . 60.0 52.43 5.21 Favored 'General case' 0 CA--C 1.48 -1.746 0 N-CA-C 120.418 3.488 . . . . 0.0 120.418 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.296 12.9 mm100 84.76 41.98 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 131.349 3.86 . . . . 0.0 108.416 -178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.58 81.43 1.17 Allowed 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -167.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -91.3 -22.54 20.5 Favored 'General case' 0 CA--C 1.486 -1.484 0 CA-C-O 123.246 1.498 . . . . 0.0 110.665 166.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -132.04 138.73 33.05 Favored Pre-proline 0 N--CA 1.43 -1.433 1 N-CA-C 99.653 -4.203 . . . . 0.0 99.653 146.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.31 -6.89 14.93 Favored 'Trans proline' 0 N--CA 1.432 -2.09 0 O-C-N 117.75 -1.763 . . . . 0.0 114.568 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.23 51.76 0.72 Allowed Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 161.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.81 ' H ' HG23 ' A' ' 13' ' ' THR 0.386 0.0 OUTLIER -57.61 -53.04 62.67 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 119.787 3.254 . . . . 0.0 119.787 -156.603 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.6 145.3 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 1 O-C-N 115.423 -4.548 . . . . 0.0 111.682 49.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.81 HG23 ' H ' ' A' ' 11' ' ' CYS 0.301 . . -102.97 -3.75 25.64 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 124.891 2.281 . . . . 0.0 109.057 171.328 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.9 7.34 87.37 Favored Glycine 0 N--CA 1.43 -1.722 0 CA-C-O 125.779 2.877 . . . . 0.0 113.633 164.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG12 ' SG ' ' A' ' 19' ' ' CYS . 4.3 p -74.28 -35.43 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 166.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -94.72 -34.46 12.54 Favored 'General case' 0 CA--C 1.488 -1.416 3 C-N-CA 132.957 4.503 . . . . 0.0 115.725 26.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -144.7 148.09 33.78 Favored 'General case' 0 N--CA 1.426 -1.65 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -169.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MDH . . . . . 0.445 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' SG ' HG12 ' A' ' 15' ' ' VAL . 61.2 m -74.92 -12.91 60.46 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.047 2.139 . . . . 0.0 114.975 -168.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -151.57 152.12 32.48 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 128.007 3.765 . . . . 0.0 109.002 153.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.25 118.0 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.568 2 O-C-N 112.663 -6.273 . . . . 0.0 97.408 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' LYS . 39.3 tt0 -99.69 -17.14 17.9 Favored 'General case' 0 N--CA 1.428 -1.551 0 C-N-CA 128.497 2.719 . . . . 0.0 115.666 32.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 . . -72.25 11.37 0.59 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 121.652 2.024 . . . . 0.0 111.289 -174.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB2' ' HB ' ' A' ' 18' ' ' MDH . . . -71.7 -17.12 62.25 Favored 'General case' 0 CA--C 1.486 -1.493 0 O-C-N 119.369 -2.082 . . . . 0.0 114.997 152.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.33 . . -121.06 96.99 5.32 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 118.097 2.628 . . . . 0.0 118.097 125.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -129.35 148.61 51.28 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 159.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.433 13.6 t-20 83.79 -45.18 0.1 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.797 -2.44 . . . . 0.0 114.823 -141.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -52.73 -43.1 65.48 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 129.317 3.047 . . . . 0.0 112.04 152.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -155.42 177.33 11.48 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-O 126.857 3.218 . . . . 0.0 108.555 -154.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mm -52.26 144.7 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 1 C-N-CA 131.99 4.116 . . . . 0.0 113.814 159.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 22' ' ' GLN . 28.5 mtpt . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.82 -1.8 . . . . 0.0 110.093 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 CA--C 1.491 -1.316 0 CA-C-O 121.876 0.846 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 13' ' ' THR . 86.3 mttt -74.44 -40.31 62.01 Favored 'General case' 0 CA--C 1.49 -1.359 0 O-C-N 120.524 -1.36 . . . . 0.0 113.585 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.604 . . 60.31 49.53 6.97 Favored 'General case' 0 N--CA 1.425 -1.707 0 O-C-N 124.545 1.153 . . . . 0.0 113.981 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 79.89 10.19 1.35 Allowed 'General case' 0 N--CA 1.421 -1.924 1 C-N-CA 134.17 4.988 . . . . 0.0 115.441 -171.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.89 64.64 0.46 Allowed 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 123.566 1.65 . . . . 0.0 107.1 -171.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 p -99.86 -23.11 15.06 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-O 125.886 2.755 . . . . 0.0 108.482 166.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -135.75 133.56 20.14 Favored Pre-proline 0 N--CA 1.429 -1.481 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 130.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -72.33 -5.98 18.19 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 O-C-N 113.743 -3.872 . . . . 0.0 113.598 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . -138.89 35.52 1.98 Allowed Glycine 0 CA--C 1.481 -2.06 0 O-C-N 120.377 -1.452 . . . . 0.0 111.879 170.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.465 0.0 OUTLIER -59.44 -42.08 91.11 Favored 'General case' 0 N--CA 1.432 -1.337 1 N-CA-C 123.305 4.558 . . . . 0.0 123.305 -152.214 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 20.7 m -102.06 146.36 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.479 0 CA-C-N 121.742 2.065 . . . . 0.0 106.439 46.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.278 . . -94.0 -2.97 52.26 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 126.794 2.038 . . . . 0.0 107.378 157.086 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 92.96 -0.81 69.87 Favored Glycine 0 CA--C 1.484 -1.878 0 O-C-N 116.972 -3.58 . . . . 0.0 111.071 159.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.437 0.3 OUTLIER -71.87 -23.11 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 171.525 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 tp -69.89 -41.62 74.52 Favored 'General case' 0 CA--C 1.49 -1.333 1 C-N-CA 135.416 5.486 . . . . 0.0 117.741 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -146.35 149.73 34.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.845 -2.434 . . . . 0.0 111.684 -173.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 m -70.45 -29.32 65.85 Favored 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 118.241 -2.787 . . . . 0.0 110.294 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.3 139.73 33.7 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 125.12 2.39 . . . . 0.0 111.052 175.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 pt -131.37 160.47 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.861 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.338 1.4 tp-100 -83.95 9.69 11.64 Favored 'General case' 0 N--CA 1.428 -1.544 1 C-N-CA 133.393 4.677 . . . . 0.0 119.086 -22.717 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.252 . . -70.91 13.3 0.2 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 125.588 2.613 . . . . 0.0 113.183 159.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.05 69.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 130.663 3.585 . . . . 0.0 111.21 144.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.392 . . -126.23 103.96 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 125.996 2.807 . . . . 0.0 111.652 132.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 p -133.34 153.0 51.96 Favored 'General case' 0 N--CA 1.421 -1.907 1 C-N-CA 132.227 4.211 . . . . 0.0 102.448 160.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 t30 72.17 -27.9 0.18 Allowed 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 127.075 3.321 . . . . 0.0 111.736 -149.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -56.22 -52.73 63.38 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 115.749 -4.344 . . . . 0.0 109.737 156.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -157.03 -172.37 4.0 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 111.022 -2.808 . . . . 0.0 105.261 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.3 mm -33.05 137.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 129.978 3.311 . . . . 0.0 109.356 166.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.294 0 C-N-CA 127.782 2.433 . . . . 0.0 110.192 -174.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 87.6 m95 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 123.847 1.784 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.64 -40.75 80.15 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 118.307 2.706 . . . . 0.0 118.307 -167.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.702 . . 40.15 54.0 2.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 119.434 3.124 . . . . 0.0 119.434 -159.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 72.95 13.24 4.99 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 126.483 1.913 . . . . 0.0 114.17 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.36 76.29 1.15 Allowed 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 129.079 2.952 . . . . 0.0 115.278 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.52 -36.52 13.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 116.874 -3.641 . . . . 0.0 106.11 163.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -138.61 142.13 33.35 Favored Pre-proline 0 N--CA 1.426 -1.664 1 N-CA-C 95.451 -5.759 . . . . 0.0 95.451 153.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.84 -24.32 34.24 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 122.082 1.855 . . . . 0.0 116.683 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.32 42.33 1.48 Allowed Glycine 0 N--CA 1.431 -1.694 0 O-C-N 118.317 -2.739 . . . . 0.0 108.402 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -56.34 -47.96 77.75 Favored 'General case' 0 CA--C 1.493 -1.244 1 N-CA-C 123.097 4.48 . . . . 0.0 123.097 -155.502 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 26.1 m -82.98 144.17 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 1 O-C-N 115.16 -4.712 . . . . 0.0 111.904 29.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 19' ' ' CYS . . . -96.5 17.87 15.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 167.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 72.94 3.38 59.91 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 125.837 1.684 . . . . 0.0 109.37 169.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.12 -37.1 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-O 115.238 -2.315 . . . . 0.0 112.652 167.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.28 -46.59 19.84 Favored 'General case' 0 CA--C 1.488 -1.408 2 C-N-CA 136.769 6.027 . . . . 0.0 110.893 13.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -127.47 135.17 50.04 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-O 113.3 -3.238 . . . . 0.0 112.918 -164.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 13' ' ' THR . 76.1 m -76.09 -19.86 58.19 Favored 'General case' 0 N--CA 1.424 -1.763 0 O-C-N 117.55 -3.219 . . . . 0.0 111.902 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -135.93 164.16 28.61 Favored 'General case' 0 N--CA 1.422 -1.865 1 O-C-N 114.645 -5.034 . . . . 0.0 112.4 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 pt -144.21 168.09 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.533 0 CA-C-N 121.58 1.991 . . . . 0.0 111.457 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -74.63 -14.81 60.81 Favored 'General case' 0 N--CA 1.426 -1.626 0 C-N-CA 128.961 2.904 . . . . 0.0 115.856 -32.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . . . -86.69 20.24 2.61 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.908 1.337 . . . . 0.0 112.68 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.9 -26.35 68.11 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 118.806 -2.434 . . . . 0.0 110.916 142.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -127.19 101.06 6.34 Favored 'General case' 0 N--CA 1.425 -1.725 0 O-C-N 117.446 -3.284 . . . . 0.0 113.681 141.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 p -136.78 140.05 42.25 Favored 'General case' 0 N--CA 1.43 -1.473 1 N-CA-C 95.594 -5.706 . . . . 0.0 95.594 168.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 85.31 -31.06 0.06 Allowed 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 125.698 1.874 . . . . 0.0 107.642 -145.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -70.94 -30.06 66.26 Favored 'General case' 0 N--CA 1.426 -1.641 0 O-C-N 120.273 -1.517 . . . . 0.0 111.887 155.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 9.1 t60 -164.45 176.12 9.32 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.28 -1.782 . . . . 0.0 112.348 -158.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.531 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 35.4 mm -60.93 132.58 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.75 0 CA-C-O 123.322 1.534 . . . . 0.0 111.817 168.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.649 0 CA-C-O 114.846 -2.502 . . . . 0.0 111.331 -169.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 82.5 m95 . . . . . 0 CA--C 1.492 -1.277 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.708 ' HA ' HG22 ' A' ' 13' ' ' THR . 80.6 mttt -62.12 -48.26 80.94 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 118.956 2.947 . . . . 0.0 118.956 177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.749 . . 62.64 62.78 1.06 Allowed 'General case' 0 N--CA 1.423 -1.81 0 C-N-CA 130.673 3.589 . . . . 0.0 119.297 165.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.279 11.8 mm100 72.54 54.89 0.15 Allowed 'General case' 0 CA--C 1.486 -1.519 0 C-N-CA 130.403 3.481 . . . . 0.0 104.866 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.99 95.49 1.98 Allowed 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 127.273 3.416 . . . . 0.0 109.86 -171.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.439 ' O ' HG23 ' A' ' 8' ' ' THR . 27.3 p -112.67 -8.56 13.78 Favored 'General case' 0 CA--C 1.488 -1.427 1 CA-C-O 128.839 4.161 . . . . 0.0 112.918 165.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 7' ' ' CYS . . . -150.01 134.87 9.56 Favored Pre-proline 0 N--CA 1.428 -1.548 0 N-CA-C 100.594 -3.854 . . . . 0.0 100.594 133.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.24 -11.56 31.81 Favored 'Trans proline' 0 N--CA 1.431 -2.156 0 N-CA-C 119.514 2.852 . . . . 0.0 119.514 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -135.5 43.25 1.26 Allowed Glycine 0 N--CA 1.43 -1.721 0 N-CA-C 107.455 -2.258 . . . . 0.0 107.455 171.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' H ' HG23 ' A' ' 13' ' ' THR 0.46 0.1 OUTLIER -63.16 -47.43 82.7 Favored 'General case' 0 N--CA 1.423 -1.801 1 N-CA-C 126.592 5.775 . . . . 0.0 126.592 -158.438 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 17.5 m -82.76 155.98 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 1 O-C-N 113.997 -5.439 . . . . 0.0 112.147 35.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.708 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.25 . . -113.19 15.38 19.42 Favored 'General case' 0 CA--C 1.484 -1.569 0 O-C-N 119.435 -2.041 . . . . 0.0 108.213 162.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.463 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 75.19 0.86 62.28 Favored Glycine 0 CA--C 1.484 -1.892 1 CA-C-O 129.396 4.887 . . . . 0.0 113.357 163.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.425 4.8 p -71.37 -42.11 73.73 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 116.105 -4.173 . . . . 0.0 114.438 170.69 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mp -98.73 -39.62 8.56 Favored 'General case' 0 N--CA 1.429 -1.501 1 C-N-CA 136.648 5.979 . . . . 0.0 112.36 37.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -144.99 157.8 44.01 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 112.43 -2.168 . . . . 0.0 113.026 -170.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . 0.431 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 m -75.82 -42.31 50.21 Favored 'General case' 0 N--CA 1.428 -1.539 1 O-C-N 115.926 -4.234 . . . . 0.0 110.935 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -133.82 138.59 45.75 Favored 'General case' 0 CA--C 1.491 -1.297 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 166.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.3 pt -123.47 135.85 61.95 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.643 0 N-CA-C 101.355 -3.572 . . . . 0.0 101.355 -167.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.312 5.8 tp60 -99.98 -8.89 23.35 Favored 'General case' 0 CA--C 1.489 -1.382 0 CA-C-N 124.955 3.525 . . . . 0.0 114.212 16.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.356 . . -66.73 9.52 0.18 Allowed 'General case' 0 N--CA 1.43 -1.434 0 CA-C-O 124.524 2.107 . . . . 0.0 116.657 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' HB2' ' HB ' ' A' ' 18' ' ' MDH . . . -63.14 -32.22 73.55 Favored 'General case' 0 CA--C 1.487 -1.459 0 O-C-N 117.992 -2.943 . . . . 0.0 112.465 155.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -115.47 104.25 11.57 Favored 'General case' 0 N--CA 1.427 -1.596 0 C-N-CA 113.558 -3.257 . . . . 0.0 113.13 132.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.4 p -140.1 141.13 36.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 101.679 -3.452 . . . . 0.0 101.679 157.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 76.31 -10.83 1.24 Allowed 'General case' 0 CA--C 1.49 -1.333 0 O-C-N 128.37 3.544 . . . . 0.0 112.854 -142.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.0 m -79.49 -54.32 6.02 Favored 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 120.827 -1.171 . . . . 0.0 112.985 147.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.566 ' CE1' HD11 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -142.68 -135.56 0.1 Allowed 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 127.701 2.4 . . . . 0.0 113.223 161.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 29' ' ' HIS . 21.7 mm -67.14 141.54 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.611 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -166.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.374 0 O-C-N 116.336 -3.978 . . . . 0.0 105.909 -171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 76.2 m95 . . . . . 0 CA--C 1.486 -1.482 0 CA-C-O 118.974 -0.536 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.639 ' HA ' HG22 ' A' ' 13' ' ' THR . 69.9 mttt -72.83 -38.36 67.16 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 -175.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.571 . . 45.54 57.59 4.85 Favored 'General case' 0 N--CA 1.426 -1.639 0 C-N-CA 127.398 2.279 . . . . 0.0 113.121 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 77.03 3.21 3.31 Favored 'General case' 0 CA--C 1.49 -1.344 1 C-N-CA 132.555 4.342 . . . . 0.0 109.044 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -164.33 70.79 0.2 Allowed 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 113.338 -1.756 . . . . 0.0 113.127 -169.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 p -131.47 -22.98 2.4 Favored 'General case' 0 CA--C 1.488 -1.439 1 CA-C-O 129.024 4.25 . . . . 0.0 108.217 174.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' CYS . . . -128.37 138.84 33.91 Favored Pre-proline 0 N--CA 1.429 -1.488 0 CA-C-N 110.752 -2.931 . . . . 0.0 104.954 124.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 75.1 Cg_endo -77.14 -20.26 12.98 Favored 'Trans proline' 0 C--N 1.294 -2.29 0 C-N-CA 125.032 3.821 . . . . 0.0 113.929 -168.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' HA3' ' HG3' ' A' ' 17' ' ' GLN . . . -130.54 36.28 2.33 Favored Glycine 0 N--CA 1.423 -2.217 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 174.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' THR 0.302 0.1 OUTLIER -58.11 -45.72 86.76 Favored 'General case' 0 N--CA 1.425 -1.711 1 N-CA-C 126.568 5.766 . . . . 0.0 126.568 -146.775 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 22.5 m -75.26 154.1 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.562 0 O-C-N 118.107 -2.87 . . . . 0.0 114.528 29.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.639 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -106.15 9.13 32.35 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 157.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.559 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 81.08 -3.2 77.89 Favored Glycine 0 N--CA 1.426 -1.967 0 C-N-CA 130.322 3.82 . . . . 0.0 114.414 175.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' HA ' ' A' ' 16' ' ' LEU 0.55 0.3 OUTLIER -61.47 -53.68 45.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 N-CA-C 117.506 2.41 . . . . 0.0 117.506 170.239 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' HA ' ' N ' ' A' ' 15' ' ' VAL . 8.2 mp -98.85 -47.34 5.32 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 118.482 -2.636 . . . . 0.0 113.17 33.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG3' ' HA3' ' A' ' 10' ' ' GLY . 5.3 tt0 -119.62 129.74 54.76 Favored 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 127.82 3.2 . . . . 0.0 112.265 -158.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HB2' HG21 ' A' ' 13' ' ' THR . 43.1 m -97.1 -10.07 26.74 Favored 'General case' 0 N--CA 1.426 -1.665 1 O-C-N 110.863 -7.398 . . . . 0.0 111.754 -175.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -137.56 141.59 41.36 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-O 116.033 -1.936 . . . . 0.0 111.518 172.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' GLN . 62.0 mt -116.02 132.13 66.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.609 0 CA-C-N 122.636 2.471 . . . . 0.0 111.39 168.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.447 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 22.8 tt0 -98.92 -9.01 24.71 Favored 'General case' 0 N--CA 1.424 -1.75 1 C-N-CA 133.928 4.891 . . . . 0.0 112.59 -13.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.362 . . -74.99 15.61 0.38 Allowed 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 123.577 2.899 . . . . 0.0 110.895 -173.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 9' ' ' PRO . . . -62.23 -30.81 71.36 Favored 'General case' 0 CA--C 1.492 -1.258 0 O-C-N 116.793 -3.692 . . . . 0.0 112.637 147.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.413 . . -105.61 86.92 2.48 Favored 'General case' 0 N--CA 1.426 -1.657 0 O-C-N 117.615 -3.178 . . . . 0.0 108.685 143.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.0 p -134.61 143.11 47.14 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 103.785 -2.672 . . . . 0.0 103.785 148.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 t30 68.23 -14.75 0.24 Allowed 'General case' 0 CA--C 1.487 -1.47 0 C-N-CA 128.873 2.869 . . . . 0.0 110.515 -134.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -66.93 -37.46 84.37 Favored 'General case' 0 N--CA 1.431 -1.408 1 O-C-N 116.047 -4.158 . . . . 0.0 116.461 153.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -152.86 -68.44 0.16 Allowed 'General case' 0 CA--C 1.484 -1.588 0 CA-C-N 120.605 1.548 . . . . 0.0 107.335 97.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 28.0 mm -78.1 134.66 27.78 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.579 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -160.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.266 1.952 1 O-C-N 116.056 -4.152 . . . . 0.0 110.894 -166.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 85.8 m95 . . . . . 0 CA--C 1.488 -1.423 0 CA-C-O 119.219 -0.419 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' A' ' 13' ' ' THR . 94.3 mttt -68.95 -45.61 70.3 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 120.533 3.531 . . . . 0.0 120.533 175.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.449 . . 41.31 61.44 1.79 Allowed 'General case' 0 CA--C 1.482 -1.637 2 O-C-N 115.653 -4.404 . . . . 0.0 113.652 -169.497 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 84.27 12.76 0.31 Allowed 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 125.766 1.916 . . . . 0.0 109.179 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -159.34 90.39 0.96 Allowed 'General case' 0 N--CA 1.429 -1.52 0 CA-C-O 125.465 2.555 . . . . 0.0 117.046 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.2 p -154.95 -19.93 0.12 Allowed 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 103.473 -2.788 . . . . 0.0 103.473 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.28 . . -121.29 138.55 28.24 Favored Pre-proline 0 N--CA 1.429 -1.502 0 CA-C-O 112.857 -3.449 . . . . 0.0 111.909 109.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . 0.284 30.3 Cg_endo -70.78 -17.43 32.97 Favored 'Trans proline' 0 C--N 1.294 -2.294 0 C-N-CA 125.047 3.831 . . . . 0.0 113.96 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.06 47.03 0.96 Allowed Glycine 0 N--CA 1.43 -1.764 0 CA-C-O 116.047 -2.529 . . . . 0.0 110.937 168.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' H ' HG23 ' A' ' 13' ' ' THR 0.353 0.0 OUTLIER -59.5 -47.47 85.41 Favored 'General case' 0 CA--C 1.478 -1.813 1 N-CA-C 123.216 4.525 . . . . 0.0 123.216 -154.296 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -82.77 148.66 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 1 CA-C-O 128.562 4.03 . . . . 0.0 112.475 34.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.619 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -99.61 1.05 43.31 Favored 'General case' 0 N--CA 1.427 -1.603 1 O-C-N 114.233 -5.292 . . . . 0.0 106.71 168.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.14 -5.01 85.36 Favored Glycine 0 N--CA 1.421 -2.357 1 O-C-N 129.664 4.353 . . . . 0.0 112.809 176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.36 -29.62 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.424 0 N-CA-C 121.783 3.994 . . . . 0.0 121.783 175.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.4 mm? -57.13 -45.2 83.69 Favored 'General case' 0 N--CA 1.431 -1.414 2 O-C-N 113.458 -5.776 . . . . 0.0 112.746 -11.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . 0.264 10.9 pt20 -145.58 155.88 43.33 Favored 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 125.419 1.699 . . . . 0.0 111.393 -156.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 19.2 m -74.85 -41.69 59.37 Favored 'General case' 0 N--CA 1.429 -1.522 1 O-C-N 115.955 -4.215 . . . . 0.0 115.488 -177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -123.95 148.75 46.65 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 128.086 3.366 . . . . 0.0 105.605 159.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.563 HG13 ' HA ' ' A' ' 22' ' ' GLN . 6.0 tt -138.71 138.41 42.23 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.582 0 C-N-CA 129.672 3.189 . . . . 0.0 106.082 -176.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.563 ' HA ' HG13 ' A' ' 21' ' ' ILE . 4.5 tp60 -94.16 -8.5 39.27 Favored 'General case' 0 N--CA 1.425 -1.697 2 O-C-N 115.821 -4.3 . . . . 0.0 115.989 13.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.375 . . -70.9 10.14 0.58 Allowed 'General case' 0 N--CA 1.432 -1.358 0 CA-C-O 123.271 1.51 . . . . 0.0 112.851 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.95 -22.98 63.12 Favored 'General case' 0 N--CA 1.42 -1.962 1 O-C-N 116.06 -4.15 . . . . 0.0 112.498 158.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -126.2 101.29 6.69 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-O 126.45 3.024 . . . . 0.0 107.916 135.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.9 p -129.32 153.17 48.09 Favored 'General case' 0 N--CA 1.427 -1.598 1 N-CA-C 99.518 -4.253 . . . . 0.0 99.518 158.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.4 t30 69.86 -37.0 0.36 Allowed 'General case' 0 CA--C 1.49 -1.334 0 CA-C-O 126.683 3.135 . . . . 0.0 111.07 -135.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.2 m -66.66 -46.66 75.02 Favored 'General case' 0 N--CA 1.425 -1.704 1 O-C-N 113.591 -5.693 . . . . 0.0 114.263 165.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -122.4 179.72 4.48 Favored 'General case' 0 CA--C 1.482 -1.654 0 CA-C-N 109.079 -3.691 . . . . 0.0 105.203 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.8 mm -27.71 135.5 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.755 0 C-N-CA 129.549 3.139 . . . . 0.0 113.151 141.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.834 1 O-C-N 116.241 -4.037 . . . . 0.0 112.185 -169.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 24.2 m95 . . . . . 0 CA--C 1.483 -1.613 0 CA-C-O 123.693 1.711 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.73 ' HA ' HG22 ' A' ' 13' ' ' THR . 76.2 mttt -82.13 -55.04 4.8 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.54 -1.975 . . . . 0.0 113.682 -159.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.687 . . 55.99 46.1 22.51 Favored 'General case' 0 N--CA 1.432 -1.347 1 N-CA-C 123.423 4.601 . . . . 0.0 123.423 -168.837 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 88.32 2.71 0.31 Allowed 'General case' 0 CA--C 1.488 -1.404 1 C-N-CA 132.573 4.349 . . . . 0.0 103.545 -178.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -159.97 72.76 0.51 Allowed 'General case' 0 N--CA 1.432 -1.366 0 O-C-N 127.727 3.142 . . . . 0.0 111.128 -173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.5 p -134.69 -38.18 0.82 Allowed 'General case' 0 CA--C 1.484 -1.573 0 N-CA-C 104.722 -2.325 . . . . 0.0 104.722 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -116.11 127.62 26.63 Favored Pre-proline 0 N--CA 1.427 -1.601 0 CA-C-N 111.313 -2.676 . . . . 0.0 104.258 130.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -75.46 -16.66 19.1 Favored 'Trans proline' 0 C--N 1.301 -1.932 0 O-C-N 116.208 -2.575 . . . . 0.0 116.801 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.78 40.44 1.68 Allowed Glycine 0 N--CA 1.429 -1.78 0 CA-C-N 110.941 -2.845 . . . . 0.0 107.513 172.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -40.46 87.02 Favored 'General case' 0 N--CA 1.432 -1.358 1 N-CA-C 126.004 5.557 . . . . 0.0 126.004 -162.057 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 m -94.02 147.1 5.82 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 C-N-CA 131.587 3.955 . . . . 0.0 110.177 30.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.73 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -90.54 8.05 35.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.423 -1.262 . . . . 0.0 113.375 164.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.17 2.78 90.64 Favored Glycine 0 N--CA 1.433 -1.537 0 CA-C-O 116.492 -2.282 . . . . 0.0 114.634 173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.425 ' N ' ' HA ' ' A' ' 16' ' ' LEU 0.274 0.6 OUTLIER -79.97 -17.4 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.591 0 O-C-N 129.637 3.787 . . . . 0.0 119.463 173.062 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HA ' ' N ' ' A' ' 15' ' ' VAL . 10.4 mp -73.82 -47.73 36.48 Favored 'General case' 0 N--CA 1.431 -1.398 1 C-N-CA 132.883 4.473 . . . . 0.0 114.174 -9.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -110.19 140.55 44.19 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 126.247 1.819 . . . . 0.0 109.062 -175.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.6 m -97.28 -1.18 45.26 Favored 'General case' 0 N--CA 1.425 -1.724 0 C-N-CA 123.499 0.72 . . . . 0.0 110.291 -163.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' CD2' HG22 ' A' ' 23' ' ' THR . 22.5 t80 -140.82 147.36 38.89 Favored 'General case' 0 N--CA 1.434 -1.247 0 O-C-N 121.365 -0.834 . . . . 0.0 108.833 158.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.0 mt -129.89 120.97 51.13 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.483 0 CA-C-O 114.839 -2.505 . . . . 0.0 109.183 175.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.292 1.8 tp60 -70.92 -46.06 63.15 Favored 'General case' 0 N--CA 1.426 -1.626 1 C-N-CA 134.686 5.194 . . . . 0.0 113.482 7.493 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' CD2' ' A' ' 20' ' ' PHE 0.502 . . -52.91 4.48 0.01 OUTLIER 'General case' 0 N--CA 1.428 -1.571 1 N-CA-C 121.861 4.022 . . . . 0.0 121.861 -150.455 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.7 4.3 19.29 Favored 'General case' 0 N--CA 1.426 -1.672 0 O-C-N 118.754 -2.466 . . . . 0.0 116.454 153.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.481 ' C ' ' HA ' ' A' ' 23' ' ' THR 0.287 . . -140.3 132.79 28.59 Favored 'General case' 0 N--CA 1.428 -1.556 0 CA-C-O 127.578 3.561 . . . . 0.0 112.756 99.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.5 p -148.61 148.88 30.63 Favored 'General case' 0 CA--C 1.488 -1.409 2 C-N-CA 137.02 6.128 . . . . 0.0 95.328 159.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.298 66.8 m-20 67.93 -22.44 0.12 Allowed 'General case' 0 N--CA 1.425 -1.684 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -167.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.63 -7.8 53.93 Favored 'General case' 0 N--CA 1.435 -1.209 0 C-N-CA 128.049 2.54 . . . . 0.0 111.606 144.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' CG ' ' N ' ' A' ' 30' ' ' ILE . 65.6 t60 -159.5 -174.35 4.61 Favored 'General case' 0 CA--C 1.488 -1.428 0 O-C-N 117.205 -3.435 . . . . 0.0 110.255 -166.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.514 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 6.4 mm -59.31 115.5 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 C-N-CA 127.058 2.143 . . . . 0.0 109.196 159.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.379 0.0 OUTLIER . . . . . 0 C--O 1.263 1.781 0 CA-C-O 116.899 -1.525 . . . . 0.0 111.773 -165.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.2 m95 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.509 0.671 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 13' ' ' THR . 87.0 mttt -88.01 -54.3 4.29 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 123.675 0.79 . . . . 0.0 113.118 -156.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.657 . . 50.5 67.2 0.96 Allowed 'General case' 0 CA--C 1.485 -1.528 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 -166.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 69.26 6.65 5.79 Favored 'General case' 0 CA--C 1.491 -1.293 0 C-N-CA 131.182 3.793 . . . . 0.0 118.531 -165.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . 0.392 30.9 p90 -162.61 59.4 0.21 Allowed 'General case' 0 CA--C 1.485 -1.535 0 CA-C-N 114.516 -1.22 . . . . 0.0 112.648 -166.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.4 p -107.83 -18.94 13.68 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 121.055 1.752 . . . . 0.0 109.733 156.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -125.55 136.11 27.86 Favored Pre-proline 0 N--CA 1.43 -1.446 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 135.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -81.56 -10.76 11.92 Favored 'Trans proline' 0 N--CA 1.432 -2.117 0 CA-C-N 128.137 3.942 . . . . 0.0 107.682 -170.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.93 47.67 0.88 Allowed Glycine 0 CA--C 1.481 -2.08 0 O-C-N 116.906 -3.622 . . . . 0.0 112.76 168.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.276 0.1 OUTLIER -64.4 -36.35 83.85 Favored 'General case' 0 N--CA 1.431 -1.424 1 N-CA-C 123.442 4.608 . . . . 0.0 123.442 -159.746 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.273 24.7 m -86.77 144.78 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 1 C-N-CA 135.901 5.68 . . . . 0.0 110.609 31.467 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.251 . . -98.73 0.03 43.71 Favored 'General case' 0 N--CA 1.422 -1.835 0 O-C-N 118.648 -2.533 . . . . 0.0 110.686 170.531 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.7 2.62 90.66 Favored Glycine 0 N--CA 1.431 -1.683 0 C-N-CA 128.961 3.172 . . . . 0.0 112.935 175.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.325 0.3 OUTLIER -76.98 -19.83 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.545 0 O-C-N 127.414 2.479 . . . . 0.0 117.027 177.334 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.7 mt -81.0 -40.73 23.84 Favored 'General case' 0 CA--C 1.491 -1.318 3 C-N-CA 133.614 4.766 . . . . 0.0 112.65 0.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -125.5 148.46 48.86 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.2 m -79.23 -6.76 57.36 Favored 'General case' 0 N--CA 1.426 -1.64 0 O-C-N 116.504 -3.873 . . . . 0.0 117.532 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -149.54 159.38 44.36 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 103.88 -2.637 . . . . 0.0 103.88 151.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 pt -136.09 145.26 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.263 0 C-N-CA 127.451 2.3 . . . . 0.0 108.704 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.343 3.1 tp-100 -104.97 1.88 29.15 Favored 'General case' 0 N--CA 1.423 -1.786 0 O-C-N 116.583 -3.823 . . . . 0.0 118.473 6.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.486 . . -59.56 8.21 0.02 OUTLIER 'General case' 0 N--CA 1.424 -1.768 0 O-C-N 116.729 -3.732 . . . . 0.0 118.229 158.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.4 -7.73 53.89 Favored 'General case' 0 N--CA 1.433 -1.314 1 N-CA-C 121.845 4.017 . . . . 0.0 121.845 149.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -119.2 106.8 12.71 Favored 'General case' 0 N--CA 1.427 -1.599 0 C-N-CA 117.518 -1.673 . . . . 0.0 109.292 118.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 p -146.97 143.53 28.52 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 100.435 -3.913 . . . . 0.0 100.435 154.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.391 10.5 t-20 81.64 -35.3 0.1 Allowed 'General case' 0 CA--C 1.484 -1.562 0 O-C-N 120.961 -1.087 . . . . 0.0 112.008 -121.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.5 m -78.74 -52.06 8.91 Favored 'General case' 0 N--CA 1.423 -1.79 0 CA-C-O 123.863 1.792 . . . . 0.0 113.029 167.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 86.3 t60 -162.97 164.18 25.84 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 153.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.484 ' H ' HG13 ' A' ' 30' ' ' ILE 0.27 17.2 mt -36.95 142.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.428 -1.564 0 C-N-CA 131.033 3.733 . . . . 0.0 115.968 -166.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.551 0 CA-C-O 116.828 -1.558 . . . . 0.0 114.884 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 66.7 m95 . . . . . 0 CA--C 1.49 -1.352 0 CA-C-O 122.424 1.107 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -74.96 -39.64 61.21 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 120.287 -1.508 . . . . 0.0 108.123 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.85 . . 61.98 56.96 2.2 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 117.115 -3.491 . . . . 0.0 118.643 166.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.442 ' HB2' ' CE1' ' A' ' 6' ' ' PHE . 13.8 mm100 76.85 7.15 3.21 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 130.242 3.417 . . . . 0.0 108.972 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 4' ' ' GLN . 0.9 OUTLIER -159.99 65.14 0.35 Allowed 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 120.915 -1.116 . . . . 0.0 110.197 -166.689 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.9 p -125.53 -16.95 5.68 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 123.732 1.729 . . . . 0.0 109.355 158.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -124.01 124.91 25.92 Favored Pre-proline 0 N--CA 1.428 -1.574 0 N-CA-C 100.521 -3.881 . . . . 0.0 100.521 128.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_endo -73.18 -15.42 25.6 Favored 'Trans proline' 0 CA--C 1.479 -2.238 1 C-N-CA 126.667 4.911 . . . . 0.0 117.098 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -139.5 41.56 1.31 Allowed Glycine 0 CA--C 1.487 -1.666 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 172.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.464 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -54.53 -53.04 59.68 Favored 'General case' 0 CA--C 1.487 -1.475 1 N-CA-C 127.387 6.069 . . . . 0.0 127.387 -160.605 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.7 m -84.14 138.29 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.716 1 O-C-N 111.855 -6.778 . . . . 0.0 112.609 40.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 11' ' ' CYS . . . -96.47 6.45 48.72 Favored 'General case' 0 N--CA 1.432 -1.34 1 O-C-N 115.215 -4.678 . . . . 0.0 101.611 173.565 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.98 3.75 72.97 Favored Glycine 0 N--CA 1.429 -1.825 0 CA-C-O 126.113 3.063 . . . . 0.0 108.263 148.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG12 ' SG ' ' A' ' 19' ' ' CYS . 11.0 p -80.02 -19.45 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.565 0 C-N-CA 129.288 3.035 . . . . 0.0 114.603 171.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.423 -1.79 1 C-N-CA 140.939 7.696 . . . . 0.0 117.088 1.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -137.23 167.81 20.84 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' SG ' HG12 ' A' ' 15' ' ' VAL . 56.1 m -86.96 -25.47 24.32 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -174.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -131.45 133.76 45.52 Favored 'General case' 0 N--CA 1.429 -1.479 0 CA-C-O 126.378 2.99 . . . . 0.0 111.119 162.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.0 mt -121.58 128.26 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 104.616 -2.364 . . . . 0.0 104.616 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' H ' ' C ' ' A' ' 32' ' ' LYS . 1.4 tp-100 -90.48 -10.4 43.8 Favored 'General case' 0 N--CA 1.426 -1.674 2 C-N-CA 132.624 4.369 . . . . 0.0 118.956 8.315 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 . . -85.09 14.82 4.61 Favored 'General case' 0 CA--C 1.488 -1.408 0 O-C-N 116.883 -3.636 . . . . 0.0 112.698 -168.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -17.27 64.19 Favored 'General case' 0 CA--C 1.488 -1.424 0 O-C-N 119.425 -2.047 . . . . 0.0 115.798 149.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.31 . . -121.58 90.18 3.26 Favored 'General case' 0 CA--C 1.491 -1.307 0 CA-C-N 122.404 2.365 . . . . 0.0 109.564 136.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.285 23.0 p -131.5 147.71 52.57 Favored 'General case' 0 N--CA 1.426 -1.644 1 N-CA-C 97.99 -4.819 . . . . 0.0 97.99 162.003 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.51 54.0 m-80 77.56 -50.49 0.52 Allowed 'General case' 0 CA--C 1.496 -1.12 1 O-C-N 116.199 -4.063 . . . . 0.0 113.358 -129.547 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 m -61.6 -52.33 64.84 Favored 'General case' 0 CA--C 1.484 -1.59 0 O-C-N 126.892 2.62 . . . . 0.0 117.489 162.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 30' ' ' ILE . 64.8 t60 -147.82 -179.78 7.15 Favored 'General case' 0 N--CA 1.427 -1.606 0 C-N-CA 131.385 3.874 . . . . 0.0 110.537 -157.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.487 ' N ' ' CG ' ' A' ' 29' ' ' HIS 0.265 7.9 mm -48.29 126.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 C-N-CA 126.538 1.935 . . . . 0.0 112.877 168.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 22' ' ' GLN 0.349 0.0 OUTLIER . . . . . 0 C--O 1.265 1.878 0 CA-C-N 120.605 1.548 . . . . 0.0 108.272 -169.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 93.4 m95 . . . . . 0 CA--C 1.496 -1.127 0 CA-C-O 115.086 -2.388 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.96 -52.05 64.5 Favored 'General case' 0 CA--C 1.49 -1.341 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.486 . . 35.53 62.47 0.61 Allowed 'General case' 0 N--CA 1.426 -1.673 1 C-N-CA 136.036 5.734 . . . . 0.0 117.427 -158.27 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.89 21.82 12.39 Favored 'General case' 0 N--CA 1.426 -1.652 0 O-C-N 126.877 2.611 . . . . 0.0 115.555 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.31 73.39 0.73 Allowed 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 117.883 -3.011 . . . . 0.0 114.451 -178.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.91 -42.13 16.66 Favored 'General case' 0 CA--C 1.482 -1.668 0 CA-C-N 109.392 -3.549 . . . . 0.0 110.092 155.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -133.7 138.08 30.18 Favored Pre-proline 0 N--CA 1.429 -1.493 0 CA-C-N 108.817 -3.81 . . . . 0.0 105.54 146.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -63.18 -19.2 68.13 Favored 'Trans proline' 0 N--CA 1.434 -1.992 1 C-N-CA 127.027 5.151 . . . . 0.0 116.421 -169.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -144.94 29.46 1.83 Allowed Glycine 0 N--CA 1.43 -1.72 0 N-CA-C 104.229 -3.548 . . . . 0.0 104.229 -175.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -48.13 -54.81 12.02 Favored 'General case' 0 CA--C 1.483 -1.626 1 N-CA-C 124.444 4.979 . . . . 0.0 124.444 -152.137 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 m -76.62 148.42 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.771 1 O-C-N 114.603 -5.061 . . . . 0.0 114.203 30.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.261 . . -91.47 12.33 21.06 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 166.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.35 -5.87 81.78 Favored Glycine 0 CA--C 1.488 -1.625 0 O-C-N 120.777 -1.202 . . . . 0.0 111.803 175.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG12 ' SG ' ' A' ' 19' ' ' CYS 0.353 0.8 OUTLIER -75.2 -29.95 22.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 N-CA-C 119.59 3.182 . . . . 0.0 119.59 173.388 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 mp -85.57 -44.35 12.72 Favored 'General case' 0 N--CA 1.428 -1.531 3 C-N-CA 137.336 6.254 . . . . 0.0 112.42 7.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -118.4 149.47 41.17 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 117.63 2.456 . . . . 0.0 117.63 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' SG ' HG12 ' A' ' 15' ' ' VAL . 71.9 m -96.81 -15.91 21.06 Favored 'General case' 0 N--CA 1.424 -1.743 0 O-C-N 116.381 -3.95 . . . . 0.0 106.897 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.418 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 2.4 t80 -126.86 134.49 50.5 Favored 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 125.722 2.677 . . . . 0.0 110.389 172.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.8 mt -115.98 122.81 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.301 0 CA-C-N 113.024 -1.898 . . . . 0.0 111.481 171.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -76.49 -43.3 40.26 Favored 'General case' 0 N--CA 1.423 -1.786 2 C-N-CA 134.165 4.986 . . . . 0.0 111.591 2.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.445 . . -75.73 16.47 0.39 Allowed 'General case' 0 CA--C 1.485 -1.538 0 N-CA-C 115.899 1.814 . . . . 0.0 115.899 -150.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 20' ' ' PHE . . . -72.51 -13.65 61.47 Favored 'General case' 0 CA--C 1.49 -1.353 0 CA-C-O 113.129 -3.319 . . . . 0.0 116.342 142.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.271 . . -120.98 90.84 3.4 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 125.515 1.76 . . . . 0.0 111.647 137.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -140.93 138.47 33.85 Favored 'General case' 0 N--CA 1.427 -1.577 1 N-CA-C 95.84 -5.615 . . . . 0.0 95.84 160.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.506 45.7 m-20 86.69 -29.23 0.06 Allowed 'General case' 0 N--CA 1.433 -1.282 1 O-C-N 131.72 5.638 . . . . 0.0 109.184 -135.977 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 m -75.53 -15.14 60.42 Favored 'General case' 0 CA--C 1.485 -1.526 1 CA-C-O 128.877 4.179 . . . . 0.0 117.534 154.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.601 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 41.3 t60 -177.09 -174.01 0.49 Allowed 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.882 -155.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.601 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 11.9 mm -74.14 153.18 6.92 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.545 0 CA-C-O 123.709 1.718 . . . . 0.0 109.037 176.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? . . . . . 0 C--O 1.265 1.881 0 CA-C-N 120.337 1.426 . . . . 0.0 109.554 -152.649 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . 0.329 80.0 m95 . . . . . 0 CA--C 1.489 -1.378 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' HA ' HG22 ' A' ' 13' ' ' THR . 90.2 mttt -81.35 -50.53 9.38 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -164.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.619 . . 46.01 67.59 0.73 Allowed 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -164.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 78.26 9.6 2.11 Favored 'General case' 0 CA--C 1.483 -1.617 0 O-C-N 118.696 -2.502 . . . . 0.0 113.75 132.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -131.35 155.21 47.64 Favored 'General case' 0 CA--C 1.487 -1.476 0 N-CA-C 100.443 -3.91 . . . . 0.0 100.443 -28.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.7 p -112.57 -6.17 13.96 Favored 'General case' 0 CA--C 1.49 -1.354 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.923 -152.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.308 . . -115.6 126.79 27.37 Favored Pre-proline 0 CA--C 1.483 -1.597 0 CA-C-O 114.576 -2.63 . . . . 0.0 104.231 120.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_exo -61.07 -17.61 53.03 Favored 'Trans proline' 0 CA--C 1.486 -1.923 1 CA-C-N 129.587 4.46 . . . . 0.0 114.931 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.96 43.16 1.3 Allowed Glycine 0 CA--C 1.49 -1.515 0 CA-C-O 116.014 -2.548 . . . . 0.0 108.475 171.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -46.52 89.32 Favored 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -158.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.5 m -85.76 151.43 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.54 1 O-C-N 115.205 -4.684 . . . . 0.0 107.047 35.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 2' ' ' LYS . . . -99.62 12.08 37.49 Favored 'General case' 0 CA--C 1.481 -1.705 0 C-N-CA 127.404 2.282 . . . . 0.0 107.545 163.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.47 -1.62 56.4 Favored Glycine 0 N--CA 1.422 -2.268 0 C-N-CA 128.795 3.093 . . . . 0.0 110.801 178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.4 69.2 t -58.91 -37.94 70.17 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.593 0 N-CA-C 120.11 3.374 . . . . 0.0 120.11 169.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 mp -69.07 -37.98 78.8 Favored 'General case' 0 N--CA 1.428 -1.542 1 C-N-CA 133.528 4.731 . . . . 0.0 114.891 -5.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -125.14 141.09 52.32 Favored 'General case' 0 CA--C 1.487 -1.473 0 O-C-N 127.244 2.84 . . . . 0.0 112.553 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.3 m -53.61 -35.77 61.25 Favored 'General case' 0 N--CA 1.421 -1.92 0 C-N-CA 130.456 3.502 . . . . 0.0 115.069 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -140.27 152.03 45.58 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 165.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.9 mt -140.47 120.11 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 N-CA-C 101.207 -3.627 . . . . 0.0 101.207 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -100.65 -11.86 19.66 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 127.299 2.24 . . . . 0.0 116.446 41.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.316 . . -67.43 17.46 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.266 1 O-C-N 116.159 -4.088 . . . . 0.0 117.182 176.127 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.3 -17.5 64.29 Favored 'General case' 0 CA--C 1.485 -1.522 0 O-C-N 116.98 -3.575 . . . . 0.0 113.821 152.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -129.28 81.38 2.02 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 125.58 2.609 . . . . 0.0 107.016 144.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.485 ' HA ' ' H ' ' A' ' 29' ' ' HIS . 10.7 p -128.51 141.84 51.26 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 100.318 -3.956 . . . . 0.0 100.318 155.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t30 81.31 -30.31 0.11 Allowed 'General case' 0 CA--C 1.486 -1.495 0 CA-C-N 111.212 -2.722 . . . . 0.0 113.471 -128.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.5 m -76.93 -52.01 10.18 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 122.187 2.267 . . . . 0.0 111.272 157.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.642 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 74.3 t60 -147.16 -171.23 3.73 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-O 126.051 2.834 . . . . 0.0 110.667 -175.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 13.4 mm -48.17 129.82 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.916 0 CA-C-N 112.611 -2.086 . . . . 0.0 113.296 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . 0.267 0.0 OUTLIER . . . . . 0 C--O 1.26 1.631 0 C-N-CA 126.58 1.952 . . . . 0.0 115.713 -155.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 96.0 m95 . . . . . 0 CA--C 1.487 -1.464 0 CA-C-O 117.267 -1.349 . . . . 0.0 108.64 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -56.66 -54.79 41.97 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.947 . . 75.27 57.09 0.06 Allowed 'General case' 0 N--CA 1.432 -1.371 1 N-CA-C 125.544 5.387 . . . . 0.0 125.544 -164.999 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 85.92 56.64 0.01 OUTLIER 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 124.263 1.982 . . . . 0.0 114.879 151.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.33 153.32 28.83 Favored 'General case' 0 CA--C 1.488 -1.432 0 C-N-CA 113.408 -3.317 . . . . 0.0 104.428 162.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 p -129.5 -19.34 3.43 Favored 'General case' 0 N--CA 1.428 -1.567 0 O-C-N 117.371 -3.331 . . . . 0.0 105.615 -161.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' CYS . . . -122.29 133.27 24.29 Favored Pre-proline 0 N--CA 1.431 -1.42 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 148.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -72.44 -12.65 27.41 Favored 'Trans proline' 0 C--N 1.293 -2.351 0 CA-C-N 126.433 3.333 . . . . 0.0 111.554 -160.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' C ' ' HA ' ' A' ' 12' ' ' VAL . . . -135.79 48.61 0.92 Allowed Glycine 0 N--CA 1.428 -1.897 0 C-N-CA 130.134 3.731 . . . . 0.0 110.135 174.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 8' ' ' THR 0.33 0.0 OUTLIER -71.32 -25.29 62.35 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -161.206 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' HA ' ' C ' ' A' ' 10' ' ' GLY . 9.2 m -93.62 155.06 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.502 1 CA-C-N 127.604 4.729 . . . . 0.0 111.698 29.097 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.296 . . -98.1 8.84 44.17 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.445 172.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.2 -18.9 49.79 Favored Glycine 0 N--CA 1.429 -1.813 0 CA-C-N 113.176 -1.829 . . . . 0.0 113.051 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.33 -51.15 59.24 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.213 0 C-N-CA 129.801 3.24 . . . . 0.0 119.071 173.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 mt -98.86 -47.74 5.17 Favored 'General case' 0 CA--C 1.483 -1.599 1 C-N-CA 134.879 5.272 . . . . 0.0 114.703 15.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -90.12 112.69 24.24 Favored 'General case' 0 N--CA 1.425 -1.683 0 C-N-CA 127.881 2.472 . . . . 0.0 114.817 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . 0.413 ' HG1' ' HA ' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.6 m -88.88 -3.06 58.85 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-O 123.626 1.679 . . . . 0.0 110.064 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -144.82 144.61 31.23 Favored 'General case' 0 CA--C 1.487 -1.48 0 O-C-N 120.133 -1.604 . . . . 0.0 114.812 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.8 118.29 46.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 CA-C-O 113.16 -3.305 . . . . 0.0 107.498 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -93.02 -11.35 33.32 Favored 'General case' 0 N--CA 1.425 -1.71 0 CA-C-N 125.627 3.831 . . . . 0.0 115.828 35.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.414 . . -77.42 10.74 2.35 Favored 'General case' 0 N--CA 1.422 -1.86 0 CA-C-N 123.378 2.808 . . . . 0.0 114.158 -173.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HA ' ' HG1' ' A' ' 18' ' ' MDH . . . -66.7 -16.82 64.5 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 117.267 -3.396 . . . . 0.0 115.3 149.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.337 . . -127.75 95.71 4.3 Favored 'General case' 0 N--CA 1.423 -1.797 0 CA-C-O 125.216 2.436 . . . . 0.0 109.229 128.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.483 ' HA ' ' H ' ' A' ' 29' ' ' HIS . 25.6 p -134.22 142.91 47.54 Favored 'General case' 0 N--CA 1.429 -1.51 0 C-N-CA 127.902 2.481 . . . . 0.0 104.525 150.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.335 1.9 t30 77.64 -13.72 0.92 Allowed 'General case' 0 N--CA 1.421 -1.922 0 CA-C-N 109.526 -3.488 . . . . 0.0 114.006 -148.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.2 m -67.49 -60.26 2.71 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 122.225 1.012 . . . . 0.0 110.771 135.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.642 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 57.6 t60 -127.64 -151.58 0.48 Allowed 'General case' 0 CA--C 1.49 -1.362 1 C-N-CA 132.03 4.132 . . . . 0.0 111.86 -165.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.642 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 11.6 mm -85.12 139.94 16.72 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 C-N-CA 125.168 1.387 . . . . 0.0 110.522 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.431 -1.382 0 CA-C-N 122.553 2.433 . . . . 0.0 107.491 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 28.0 m95 . . . . . 0 CA--C 1.492 -1.276 0 CA-C-O 113.165 -3.302 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HA ' HG22 ' A' ' 13' ' ' THR . 97.8 mttt -80.32 -52.81 7.25 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 125.614 1.821 . . . . 0.0 112.612 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.523 . . 52.18 56.03 8.33 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 126.932 3.253 . . . . 0.0 117.773 179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 76.63 -6.56 1.99 Allowed 'General case' 0 N--CA 1.434 -1.253 1 CA-C-N 108.154 -4.112 . . . . 0.0 112.935 -170.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . 0.293 0.6 OUTLIER -159.12 69.73 0.47 Allowed 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 124.195 1.95 . . . . 0.0 114.346 -171.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.9 p -137.45 -33.18 0.74 Allowed 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.524 -1.985 . . . . 0.0 106.548 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -117.8 144.48 34.55 Favored Pre-proline 0 N--CA 1.426 -1.648 0 CA-C-O 113.519 -3.134 . . . . 0.0 102.651 123.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.38 -29.34 4.9 Favored 'Trans proline' 0 N--CA 1.43 -2.23 0 CA-C-N 126.846 3.481 . . . . 0.0 114.584 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.6 52.59 0.83 Allowed Glycine 0 CA--C 1.483 -1.935 1 C-N-CA 132.254 4.74 . . . . 0.0 115.44 169.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' H ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -64.19 -42.18 96.78 Favored 'General case' 0 N--CA 1.427 -1.585 2 CA-C-N 104.802 -5.699 . . . . 0.0 123.164 -153.223 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . 0.316 10.8 m -76.97 156.71 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 O-C-N 116.867 -3.645 . . . . 0.0 111.581 29.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.288 . . -108.33 5.83 25.89 Favored 'General case' 0 CA--C 1.484 -1.564 0 N-CA-C 102.832 -3.025 . . . . 0.0 102.832 170.338 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.74 -6.18 73.62 Favored Glycine 0 CA--C 1.484 -1.865 0 C-N-CA 123.654 0.645 . . . . 0.0 112.115 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -70.89 -33.29 51.62 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.394 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -63.18 -51.24 67.16 Favored 'General case' 0 N--CA 1.427 -1.594 2 C-N-CA 136.582 5.953 . . . . 0.0 115.164 -8.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -122.59 133.56 54.54 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 129.356 3.062 . . . . 0.0 114.247 -161.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . 0.3 72.0 m -80.88 -22.74 39.56 Favored 'General case' 0 N--CA 1.432 -1.331 0 O-C-N 119.446 -2.034 . . . . 0.0 112.325 -173.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -139.18 139.5 37.56 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 126.387 1.875 . . . . 0.0 108.578 168.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.1 mt -143.44 140.29 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.823 1 C-N-CA 132.015 4.126 . . . . 0.0 102.986 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -89.78 -14.35 34.71 Favored 'General case' 0 N--CA 1.43 -1.426 1 C-N-CA 135.901 5.68 . . . . 0.0 117.875 11.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.575 . . -68.96 9.55 0.38 Allowed 'General case' 0 CA--C 1.485 -1.543 0 CA-C-O 126.739 3.161 . . . . 0.0 114.132 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.06 -22.92 67.13 Favored 'General case' 0 N--CA 1.426 -1.651 1 O-C-N 113.353 -5.842 . . . . 0.0 112.297 154.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -128.16 101.88 6.46 Favored 'General case' 0 N--CA 1.427 -1.617 0 O-C-N 127.97 3.294 . . . . 0.0 108.234 137.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.9 p -129.65 142.21 50.77 Favored 'General case' 0 N--CA 1.422 -1.867 0 C-N-CA 129.044 2.938 . . . . 0.0 105.772 152.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.506 25.3 m-80 87.4 -34.69 0.03 OUTLIER 'General case' 0 N--CA 1.426 -1.634 0 CA-C-O 124.589 2.138 . . . . 0.0 112.159 -143.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . 0.265 4.2 m -58.01 -40.48 80.89 Favored 'General case' 0 CA--C 1.487 -1.478 0 O-C-N 116.345 -3.972 . . . . 0.0 109.581 142.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.604 ' CE1' HG12 ' A' ' 30' ' ' ILE . 63.2 t60 -160.96 -179.34 7.46 Favored 'General case' 0 CA--C 1.489 -1.383 0 O-C-N 120.293 -1.504 . . . . 0.0 109.932 -155.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.604 HG12 ' CE1' ' A' ' 29' ' ' HIS . 12.6 mm -61.02 137.57 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.665 0 C-N-CA 129.5 3.12 . . . . 0.0 112.319 170.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.774 0 CA-C-O 123.775 1.75 . . . . 0.0 107.595 -167.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 99.4 m95 . . . . . 0 CA--C 1.5 -0.945 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -72.85 -27.59 62.02 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 118.753 2.872 . . . . 0.0 118.753 172.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.705 . . 59.22 36.4 23.77 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 111.535 -2.575 . . . . 0.0 114.582 157.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.425 71.2 mm-40 73.27 37.41 0.74 Allowed 'General case' 0 CA--C 1.487 -1.477 0 N-CA-C 115.851 1.797 . . . . 0.0 115.851 174.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -124.29 151.0 44.76 Favored 'General case' 0 N--CA 1.42 -1.942 0 O-C-N 118.031 -2.918 . . . . 0.0 110.106 -18.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.3 p -95.99 -24.08 16.54 Favored 'General case' 0 N--CA 1.433 -1.286 0 O-C-N 126.588 2.43 . . . . 0.0 113.847 -171.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -139.75 135.75 16.94 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-N 108.428 -3.987 . . . . 0.0 105.393 150.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -72.49 -20.02 24.23 Favored 'Trans proline' 0 C--N 1.296 -2.188 0 CA-C-N 123.74 2.371 . . . . 0.0 114.929 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.81 46.69 1.05 Allowed Glycine 0 CA--C 1.485 -1.785 0 O-C-N 128.014 3.321 . . . . 0.0 112.244 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -46.67 46.04 Favored 'General case' 0 N--CA 1.425 -1.685 1 N-CA-C 122.645 4.313 . . . . 0.0 122.645 -144.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -91.49 145.4 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.507 0 O-C-N 118.123 -2.86 . . . . 0.0 114.92 44.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.329 . . -90.52 11.77 20.78 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 120.049 -1.657 . . . . 0.0 113.152 159.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.44 -7.55 81.24 Favored Glycine 0 CA--C 1.49 -1.49 0 N-CA-C 107.071 -2.412 . . . . 0.0 107.071 165.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.383 3.0 p -75.34 -38.86 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 175.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mp -99.9 -38.16 8.74 Favored 'General case' 0 N--CA 1.424 -1.76 2 CA-C-N 127.336 4.607 . . . . 0.0 108.742 29.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -127.66 140.52 52.03 Favored 'General case' 0 CA--C 1.492 -1.282 0 CA-C-N 112.886 -1.961 . . . . 0.0 108.928 -162.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . 0.615 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -81.1 -24.39 37.76 Favored 'General case' 0 N--CA 1.425 -1.681 0 O-C-N 116.742 -3.724 . . . . 0.0 117.38 -169.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -138.81 143.17 38.78 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 122.571 1.177 . . . . 0.0 108.765 165.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 23.7 mt -113.77 119.51 61.2 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 130.79 3.636 . . . . 0.0 104.127 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -88.43 -12.4 43.23 Favored 'General case' 0 N--CA 1.425 -1.689 1 C-N-CA 132.599 4.36 . . . . 0.0 119.095 37.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.411 . . -82.5 7.84 13.3 Favored 'General case' 0 CA--C 1.492 -1.251 0 O-C-N 119.795 -1.816 . . . . 0.0 113.781 -161.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.615 ' HB2' ' HB ' ' A' ' 18' ' ' MDH . . . -69.05 -11.36 60.71 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 111.741 -2.482 . . . . 0.0 115.316 152.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -127.55 113.06 15.62 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 121.382 1.901 . . . . 0.0 114.194 116.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 p -144.9 151.6 38.94 Favored 'General case' 0 N--CA 1.425 -1.722 1 N-CA-C 97.064 -5.161 . . . . 0.0 97.064 164.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 65.75 -25.77 0.1 Allowed 'General case' 0 CA--C 1.486 -1.496 0 C-N-CA 128.276 2.631 . . . . 0.0 111.401 -139.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.9 m -62.54 -38.93 91.93 Favored 'General case' 0 N--CA 1.427 -1.58 0 O-C-N 116.631 -3.793 . . . . 0.0 111.591 149.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 30' ' ' ILE . 32.6 t60 -159.71 177.23 11.07 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -152.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 33.8 mm -49.11 128.37 5.15 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.497 0 CA-C-O 124.187 1.946 . . . . 0.0 114.264 165.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.718 0 CA-C-O 114.745 -2.55 . . . . 0.0 114.79 -163.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 58.5 m95 . . . . . 0 CA--C 1.487 -1.476 0 CA-C-O 117.689 -1.148 . . . . 0.0 113.424 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 62.3 mttt -100.56 0.2 38.94 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-O 114.846 -2.502 . . . . 0.0 110.831 -159.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.368 . . 39.0 33.44 0.08 Allowed 'General case' 0 N--CA 1.429 -1.507 2 C-N-CA 139.034 6.933 . . . . 0.0 122.058 155.143 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 64.08 -18.76 0.07 Allowed 'General case' 0 N--CA 1.425 -1.722 1 O-C-N 114.449 -5.157 . . . . 0.0 114.976 -174.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' HB2' ' O ' ' A' ' 8' ' ' THR . 6.4 p90 -149.78 168.05 24.78 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 154.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -95.95 -22.78 17.2 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 118.996 -2.315 . . . . 0.0 111.587 170.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 6' ' ' PHE . . . -151.61 139.88 13.14 Favored Pre-proline 0 N--CA 1.421 -1.911 1 C-N-CA 133.604 4.762 . . . . 0.0 108.105 179.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -66.42 -25.91 48.28 Favored 'Trans proline' 0 C--N 1.296 -2.196 0 C-N-CA 123.029 2.486 . . . . 0.0 108.83 -167.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -137.97 43.24 1.21 Allowed Glycine 0 C--N 1.356 1.658 1 O-C-N 130.367 4.792 . . . . 0.0 108.528 173.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.378 0.0 OUTLIER -46.59 -56.36 6.19 Favored 'General case' 0 N--CA 1.429 -1.51 1 N-CA-C 125.062 5.208 . . . . 0.0 125.062 -158.447 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 22.2 m -91.88 138.0 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.65 0 CA-C-O 126.782 3.182 . . . . 0.0 113.237 37.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.329 . . -90.85 -4.3 56.7 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 110.861 -2.881 . . . . 0.0 112.236 154.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 71.6 20.19 78.33 Favored Glycine 0 CA--C 1.488 -1.652 0 O-C-N 119.214 -2.179 . . . . 0.0 113.781 158.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.251 4.8 p -88.78 -13.17 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 130.562 3.545 . . . . 0.0 115.08 174.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tp -70.29 -47.17 62.4 Favored 'General case' 0 CA--C 1.488 -1.441 2 C-N-CA 135.355 5.462 . . . . 0.0 115.826 -4.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -133.69 167.18 20.98 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-O 123.271 1.51 . . . . 0.0 112.143 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . 0.413 ' HB ' ' HB1' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 68.4 m -90.17 19.62 4.92 Favored 'General case' 0 N--CA 1.425 -1.682 1 O-C-N 115.383 -4.573 . . . . 0.0 110.149 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' CD2' HG22 ' A' ' 23' ' ' THR . 27.2 t80 -152.96 154.02 34.14 Favored 'General case' 0 CA--C 1.49 -1.339 1 O-C-N 116.024 -4.173 . . . . 0.0 102.398 175.581 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 22' ' ' GLN . 43.0 mt -124.93 143.36 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 125.983 3.992 . . . . 0.0 108.238 164.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 21' ' ' ILE . 15.7 tt0 -91.38 -11.76 36.86 Favored 'General case' 0 N--CA 1.424 -1.726 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -23.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.472 HG22 ' CD2' ' A' ' 20' ' ' PHE . . . -68.66 9.26 0.38 Allowed 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 18' ' ' MDH . . . -63.0 -17.7 62.49 Favored 'General case' 0 N--CA 1.425 -1.713 0 O-C-N 119.574 -1.954 . . . . 0.0 115.458 151.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.411 . . -117.42 100.63 7.79 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 126.86 3.219 . . . . 0.0 113.388 124.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' N ' ' HA ' ' A' ' 23' ' ' THR . 12.8 p -142.36 148.15 37.42 Favored 'General case' 0 CA--C 1.487 -1.462 0 O-C-N 117.071 -3.518 . . . . 0.0 103.038 157.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 62.47 -15.12 0.05 Allowed 'General case' 0 N--CA 1.428 -1.545 0 CA-C-O 117.77 -1.11 . . . . 0.0 113.736 -136.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 m -62.81 -43.21 99.39 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-O 125.246 2.45 . . . . 0.0 116.66 141.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.472 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 71.0 t60 -155.02 -153.39 0.45 Allowed 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 104.129 -2.545 . . . . 0.0 104.129 171.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.472 ' H ' ' CG ' ' A' ' 29' ' ' HIS 0.545 16.7 mm -32.17 118.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.348 1 C-N-CA 134.299 5.04 . . . . 0.0 116.044 159.327 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.813 1 CA-C-N 126.04 4.018 . . . . 0.0 109.106 -168.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 78.2 m95 . . . . . 0 CA--C 1.488 -1.427 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.51 ' HA ' HG22 ' A' ' 13' ' ' THR . 87.5 mttt -63.78 -51.73 63.49 Favored 'General case' 0 N--CA 1.425 -1.71 0 C-N-CA 128.606 2.762 . . . . 0.0 111.331 -173.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.612 . . 60.0 52.43 5.21 Favored 'General case' 0 CA--C 1.48 -1.746 0 N-CA-C 120.418 3.488 . . . . 0.0 120.418 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.296 12.9 mm100 84.76 41.98 0.02 OUTLIER 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 131.349 3.86 . . . . 0.0 108.416 -178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -153.58 81.43 1.17 Allowed 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 -167.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 p -91.3 -22.54 20.5 Favored 'General case' 0 CA--C 1.486 -1.484 0 CA-C-O 123.246 1.498 . . . . 0.0 110.665 166.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -132.04 138.73 33.05 Favored Pre-proline 0 N--CA 1.43 -1.433 1 N-CA-C 99.653 -4.203 . . . . 0.0 99.653 146.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.31 -6.89 14.93 Favored 'Trans proline' 0 N--CA 1.432 -2.09 0 O-C-N 117.75 -1.763 . . . . 0.0 114.568 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.23 51.76 0.72 Allowed Glycine 0 N--CA 1.425 -2.04 0 N-CA-C 107.219 -2.353 . . . . 0.0 107.219 161.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.81 ' H ' HG23 ' A' ' 13' ' ' THR 0.386 0.0 OUTLIER -57.61 -53.04 62.67 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 119.787 3.254 . . . . 0.0 119.787 -156.603 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.0 m -90.6 145.3 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 1 O-C-N 115.423 -4.548 . . . . 0.0 111.682 49.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.81 HG23 ' H ' ' A' ' 11' ' ' CYS 0.301 . . -102.97 -3.75 25.64 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-O 124.891 2.281 . . . . 0.0 109.057 171.328 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.9 7.34 87.37 Favored Glycine 0 N--CA 1.43 -1.722 0 CA-C-O 125.779 2.877 . . . . 0.0 113.633 164.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG12 ' SG ' ' A' ' 19' ' ' CYS . 4.3 p -74.28 -35.43 40.03 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.758 0 N-CA-C 117.326 2.343 . . . . 0.0 117.326 166.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.6 tp -94.72 -34.46 12.54 Favored 'General case' 0 CA--C 1.488 -1.416 3 C-N-CA 132.957 4.503 . . . . 0.0 115.725 26.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -144.7 148.09 33.78 Favored 'General case' 0 N--CA 1.426 -1.65 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 -169.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . 0.445 ' HB ' ' HB2' ' A' ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' SG ' HG12 ' A' ' 15' ' ' VAL . 61.2 m -74.92 -12.91 60.46 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.047 2.139 . . . . 0.0 114.975 -168.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -151.57 152.12 32.48 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 128.007 3.765 . . . . 0.0 109.002 153.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.9 mt -142.25 118.0 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.568 2 O-C-N 112.663 -6.273 . . . . 0.0 97.408 -173.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' LYS . 39.3 tt0 -99.69 -17.14 17.9 Favored 'General case' 0 N--CA 1.428 -1.551 0 C-N-CA 128.497 2.719 . . . . 0.0 115.666 32.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 . . -72.25 11.37 0.59 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 121.652 2.024 . . . . 0.0 111.289 -174.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.445 ' HB2' ' HB ' ' A' ' 18' ' ' MDH . . . -71.7 -17.12 62.25 Favored 'General case' 0 CA--C 1.486 -1.493 0 O-C-N 119.369 -2.082 . . . . 0.0 114.997 152.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.33 . . -121.06 96.99 5.32 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 118.097 2.628 . . . . 0.0 118.097 125.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.0 p -129.35 148.61 51.28 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 159.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 0.433 13.6 t-20 83.79 -45.18 0.1 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 118.797 -2.44 . . . . 0.0 114.823 -141.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -52.73 -43.1 65.48 Favored 'General case' 0 CA--C 1.483 -1.606 0 C-N-CA 129.317 3.047 . . . . 0.0 112.04 152.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -155.42 177.33 11.48 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-O 126.857 3.218 . . . . 0.0 108.555 -154.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.5 mm -52.26 144.7 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 1 C-N-CA 131.99 4.116 . . . . 0.0 113.814 159.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 22' ' ' GLN . 28.5 mtpt . . . . . 0 C--O 1.263 1.798 0 O-C-N 119.82 -1.8 . . . . 0.0 110.093 -168.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 83.6 m95 . . . . . 0 CA--C 1.491 -1.316 0 CA-C-O 121.876 0.846 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 13' ' ' THR . 86.3 mttt -74.44 -40.31 62.01 Favored 'General case' 0 CA--C 1.49 -1.359 0 O-C-N 120.524 -1.36 . . . . 0.0 113.585 -173.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.604 . . 60.31 49.53 6.97 Favored 'General case' 0 N--CA 1.425 -1.707 0 O-C-N 124.545 1.153 . . . . 0.0 113.981 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 79.89 10.19 1.35 Allowed 'General case' 0 N--CA 1.421 -1.924 1 C-N-CA 134.17 4.988 . . . . 0.0 115.441 -171.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -157.89 64.64 0.46 Allowed 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 123.566 1.65 . . . . 0.0 107.1 -171.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 p -99.86 -23.11 15.06 Favored 'General case' 0 N--CA 1.427 -1.586 0 CA-C-O 125.886 2.755 . . . . 0.0 108.482 166.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -135.75 133.56 20.14 Favored Pre-proline 0 N--CA 1.429 -1.481 0 N-CA-C 104.573 -2.38 . . . . 0.0 104.573 130.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -72.33 -5.98 18.19 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 O-C-N 113.743 -3.872 . . . . 0.0 113.598 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' VAL . . . -138.89 35.52 1.98 Allowed Glycine 0 CA--C 1.481 -2.06 0 O-C-N 120.377 -1.452 . . . . 0.0 111.879 170.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.465 0.0 OUTLIER -59.44 -42.08 91.11 Favored 'General case' 0 N--CA 1.432 -1.337 1 N-CA-C 123.305 4.558 . . . . 0.0 123.305 -152.214 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 20.7 m -102.06 146.36 10.33 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.479 0 CA-C-N 121.742 2.065 . . . . 0.0 106.439 46.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 2' ' ' LYS 0.278 . . -94.0 -2.97 52.26 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 126.794 2.038 . . . . 0.0 107.378 157.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 92.96 -0.81 69.87 Favored Glycine 0 CA--C 1.484 -1.878 0 O-C-N 116.972 -3.58 . . . . 0.0 111.071 159.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . 0.437 0.3 OUTLIER -71.87 -23.11 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 1 N-CA-C 123.657 4.688 . . . . 0.0 123.657 171.525 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 tp -69.89 -41.62 74.52 Favored 'General case' 0 CA--C 1.49 -1.333 1 C-N-CA 135.416 5.486 . . . . 0.0 117.741 -0.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -146.35 149.73 34.35 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 111.845 -2.434 . . . . 0.0 111.684 -173.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 m -70.45 -29.32 65.85 Favored 'General case' 0 N--CA 1.422 -1.839 0 O-C-N 118.241 -2.787 . . . . 0.0 110.294 174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.3 139.73 33.7 Favored 'General case' 0 N--CA 1.424 -1.748 0 CA-C-O 125.12 2.39 . . . . 0.0 111.052 175.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.0 pt -131.37 160.47 42.3 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.861 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . 0.338 1.4 tp-100 -83.95 9.69 11.64 Favored 'General case' 0 N--CA 1.428 -1.544 1 C-N-CA 133.393 4.677 . . . . 0.0 119.086 -22.717 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.252 . . -70.91 13.3 0.2 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 125.588 2.613 . . . . 0.0 113.183 159.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -31.05 69.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 C-N-CA 130.663 3.585 . . . . 0.0 111.21 144.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.392 . . -126.23 103.96 7.96 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-O 125.996 2.807 . . . . 0.0 111.652 132.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 p -133.34 153.0 51.96 Favored 'General case' 0 N--CA 1.421 -1.907 1 C-N-CA 132.227 4.211 . . . . 0.0 102.448 160.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.1 t30 72.17 -27.9 0.18 Allowed 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 127.075 3.321 . . . . 0.0 111.736 -149.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.6 m -56.22 -52.73 63.38 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 115.749 -4.344 . . . . 0.0 109.737 156.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -157.03 -172.37 4.0 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 111.022 -2.808 . . . . 0.0 105.261 -171.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.3 mm -33.05 137.03 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 129.978 3.311 . . . . 0.0 109.356 166.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.294 0 C-N-CA 127.782 2.433 . . . . 0.0 110.192 -174.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TRP . . . . . . . . . . . . . 87.6 m95 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 123.847 1.784 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -68.64 -40.75 80.15 Favored 'General case' 0 N--CA 1.424 -1.752 0 N-CA-C 118.307 2.706 . . . . 0.0 118.307 -167.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . 0.702 . . 40.15 54.0 2.77 Favored 'General case' 0 N--CA 1.427 -1.622 0 N-CA-C 119.434 3.124 . . . . 0.0 119.434 -159.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 mm-40 72.95 13.24 4.99 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 126.483 1.913 . . . . 0.0 114.17 -178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.36 76.29 1.15 Allowed 'General case' 0 N--CA 1.422 -1.836 0 C-N-CA 129.079 2.952 . . . . 0.0 115.278 179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 m -92.52 -36.52 13.01 Favored 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 116.874 -3.641 . . . . 0.0 106.11 163.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . . . -138.61 142.13 33.35 Favored Pre-proline 0 N--CA 1.426 -1.664 1 N-CA-C 95.451 -5.759 . . . . 0.0 95.451 153.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.84 -24.32 34.24 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 122.082 1.855 . . . . 0.0 116.683 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -127.32 42.33 1.48 Allowed Glycine 0 N--CA 1.431 -1.694 0 O-C-N 118.317 -2.739 . . . . 0.0 108.402 169.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -56.34 -47.96 77.75 Favored 'General case' 0 CA--C 1.493 -1.244 1 N-CA-C 123.097 4.48 . . . . 0.0 123.097 -155.502 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 14' ' ' GLY . 26.1 m -82.98 144.17 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.542 1 O-C-N 115.16 -4.712 . . . . 0.0 111.904 29.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 19' ' ' CYS . . . -96.5 17.87 15.28 Favored 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 167.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.402 ' H ' ' HB ' ' A' ' 12' ' ' VAL . . . 72.94 3.38 59.91 Favored Glycine 0 N--CA 1.428 -1.876 0 C-N-CA 125.837 1.684 . . . . 0.0 109.37 169.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.12 -37.1 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 CA-C-O 115.238 -2.315 . . . . 0.0 112.652 167.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mp -78.28 -46.59 19.84 Favored 'General case' 0 CA--C 1.488 -1.408 2 C-N-CA 136.769 6.027 . . . . 0.0 110.893 13.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -127.47 135.17 50.04 Favored 'General case' 0 N--CA 1.429 -1.521 0 CA-C-O 113.3 -3.238 . . . . 0.0 112.918 -164.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MDH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' HB2' HG21 ' A' ' 13' ' ' THR . 76.1 m -76.09 -19.86 58.19 Favored 'General case' 0 N--CA 1.424 -1.763 0 O-C-N 117.55 -3.219 . . . . 0.0 111.902 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -135.93 164.16 28.61 Favored 'General case' 0 N--CA 1.422 -1.865 1 O-C-N 114.645 -5.034 . . . . 0.0 112.4 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 pt -144.21 168.09 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.533 0 CA-C-N 121.58 1.991 . . . . 0.0 111.457 177.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -74.63 -14.81 60.81 Favored 'General case' 0 N--CA 1.426 -1.626 0 C-N-CA 128.961 2.904 . . . . 0.0 115.856 -32.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . . . -86.69 20.24 2.61 Favored 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 122.908 1.337 . . . . 0.0 112.68 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.9 -26.35 68.11 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 118.806 -2.434 . . . . 0.0 110.916 142.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . . . -127.19 101.06 6.34 Favored 'General case' 0 N--CA 1.425 -1.725 0 O-C-N 117.446 -3.284 . . . . 0.0 113.681 141.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 p -136.78 140.05 42.25 Favored 'General case' 0 N--CA 1.43 -1.473 1 N-CA-C 95.594 -5.706 . . . . 0.0 95.594 168.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 47.3 t30 85.31 -31.06 0.06 Allowed 'General case' 0 N--CA 1.428 -1.545 0 O-C-N 125.698 1.874 . . . . 0.0 107.642 -145.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 m -70.94 -30.06 66.26 Favored 'General case' 0 N--CA 1.426 -1.641 0 O-C-N 120.273 -1.517 . . . . 0.0 111.887 155.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CG ' ' H ' ' A' ' 30' ' ' ILE . 9.1 t60 -164.45 176.12 9.32 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.28 -1.782 . . . . 0.0 112.348 -158.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.531 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 35.4 mm -60.93 132.58 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.75 0 CA-C-O 123.322 1.534 . . . . 0.0 111.817 168.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.649 0 CA-C-O 114.846 -2.502 . . . . 0.0 111.331 -169.227 . . . . . . . . 1 1 . 1 stop_ save_