data_2m8v_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m8v _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 0.1 22.95 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.93 88.97 28.02 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.677 0.275 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.56 -11.99 26.66 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.723 2.282 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.15 -83.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.04 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t 59.79 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.4 -166.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -67.42 98.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -167.93 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -135.04 -69.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 111.265 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.831 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 29.8 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.025 0.44 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -89.92 12.25 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.497 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -160.67 119.87 2.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.784 0.326 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.157 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.551 0.215 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.08 -19.63 61.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.73 0.3 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.8 m -70.24 146.82 94.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.58 -60.95 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.557 2.172 . . . . 0.0 112.345 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.407 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 23.4 t-20 -166.89 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 15' ' ' ASN . 7.2 p 44.1 58.56 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.575 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 18' ' ' SER . 12.2 mm 68.74 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.401 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 83.5 p -102.06 41.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 p -175.99 86.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.723 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 5.8 mt 63.16 154.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 98.5 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.776 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.925 0.393 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -95.65 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -178.27 160.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.593 0.235 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.24 27.45 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.532 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -118.25 79.71 15.07 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -81.5 -16.4 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.936 2.424 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.18 -67.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.98 112.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tt -148.27 140.19 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.115 0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t 167.59 -47.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.1 p -175.84 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -132.78 163.46 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.931 179.752 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -100.5 -60.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -178.72 132.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.513 0.197 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 27.12 1.17 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.673 0.273 . . . . 0.0 111.239 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 m -118.08 82.15 17.35 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.543 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.01 34.88 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.984 2.456 . . . . 0.0 112.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -178.29 -87.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.044 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t 47.01 84.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.754 0.311 . . . . 0.0 111.398 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.51 133.26 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.33 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.595 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -177.31 84.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.6 mt 58.69 44.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 61.3 m . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.314 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.995 0.426 . . . . 0.0 111.425 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.02 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.7 t30 58.19 -170.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.763 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.314 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.558 0.218 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.59 27.53 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.552 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 77.85 12.44 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.599 0.238 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -94.58 19.46 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.126 2.55 . . . . 0.0 112.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -137.47 82.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -179.68 107.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.4 tt -162.36 156.19 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.476 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 1.7 m 83.07 -48.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.355 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 25.64 3.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mt 65.14 130.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 12.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.25 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 p . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.879 0.371 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -43.86 95.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 55.95 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.693 0.282 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.204 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.88 27.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.56 0.219 . . . . 0.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.7 m -135.27 63.52 56.23 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.241 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.86 -22.87 70.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.425 2.083 . . . . 0.0 112.165 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.519 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 1.9 t30 -113.32 -24.66 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 15' ' ' ASN . 5.8 p 56.55 147.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 O-C-N 123.478 0.486 . . . . 0.0 111.874 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.91 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.497 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.11 -169.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.02 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -29.33 68.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.0 -164.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.8 p . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.21 0.529 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 -27.88 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -108.54 142.36 39.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.973 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.714 0.292 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -87.5 27.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.7 m -113.74 90.17 17.78 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.085 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 37.3 Cg_endo -91.62 -4.46 4.08 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.146 2.564 . . . . 0.0 112.711 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -90.61 51.36 1.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.855 0.359 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 p -158.43 77.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tt -147.06 142.45 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t 171.14 -78.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.622 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -127.49 -67.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -151.59 152.84 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 12.24 10.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -73.71 161.59 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.38 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.673 0.273 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.44 17.11 11.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.449 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 m -55.77 109.21 1.49 Allowed Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.813 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.63 -16.06 50.26 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.15 1.9 . . . . 0.0 112.405 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -178.44 138.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.98 56.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.98 143.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -42.02 14.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.782 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.24 69.15 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.182 0.515 . . . . 0.0 110.514 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 mt 66.64 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' ILE . 3.2 m . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.387 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.923 0.392 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -32.33 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.697 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.42 176.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.227 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.733 0.301 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -96.04 26.91 3.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.8 m -58.03 141.85 80.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 4.3 Cg_exo -80.51 47.95 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.943 2.429 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.76 136.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 111.12 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p 179.02 79.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.833 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mt -139.06 14.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -102.35 -76.55 0.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.85 -26.08 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 63.39 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.076 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.628 0.251 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -78.35 -29.54 47.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -146.26 175.46 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.9 0.381 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.626 0.251 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.633 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.0 m -112.58 95.42 32.21 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.657 0.265 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.7 -20.72 34.73 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 0.0 112.828 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.42 -83.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 16' ' ' VAL . 7.9 p 42.94 58.84 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.867 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tt -130.69 132.9 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 111.07 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.68 -75.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -138.49 80.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.338 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 70.77 158.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.49 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.121 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 28.5 p . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.879 0.371 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -75.25 -31.22 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -156.76 147.43 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.598 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.599 0.238 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -84.89 10.58 11.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.589 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -46.76 100.68 0.24 Allowed Pre-proline 0 CA--C 1.53 0.21 0 CA-C-O 120.575 0.226 . . . . 0.0 111.201 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.735 2.29 . . . . 0.0 112.563 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.26 -49.75 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.271 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -102.01 123.18 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.375 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.63 -161.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.48 -172.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.865 0.365 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -62.69 -33.04 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -171.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 35.6 m . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 121.02 0.438 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -47.99 -32.2 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.706 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -77.73 165.26 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.341 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.889 0.375 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.754 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 27.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 0.0 111.522 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.92 106.42 6.27 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.29 -12.88 29.24 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.719 2.28 . . . . 0.0 113.015 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -84.22 -144.72 0.08 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.2 t 50.85 73.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.208 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.18 128.02 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 63.05 22.93 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.95 23.64 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.986 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.4 OUTLIER 63.04 131.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.969 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 11.4 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.237 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 19.9 p . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.07 -27.28 69.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.77 120.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.718 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.568 0.223 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.82 27.12 1.62 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.654 0.264 . . . . 0.0 111.205 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.22 103.91 33.53 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.779 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -77.01 55.72 5.11 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.835 2.357 . . . . 0.0 112.283 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -147.8 24.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.208 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -154.97 99.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -126.92 126.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.439 . . . . 0.0 111.007 179.75 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 7.3 t 160.21 176.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 18' ' ' SER . 53.7 p -50.53 -70.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.479 . . . . 0.0 110.623 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -77.2 -166.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.201 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.775 0.321 . . . . 0.0 111.196 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -25.97 44.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.75 175.42 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.177 0.513 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.899 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.847 0.356 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.547 0.213 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -107.25 27.1 9.39 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.8 m -131.94 93.68 26.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.987 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.65 -20.84 36.26 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.473 2.115 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.29 111.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.06 -164.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 p -78.45 -3.03 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.518 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.1 17.63 12.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 12.3 mm 56.97 158.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.35 0.595 . . . . 0.0 111.626 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 16.9 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.403 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 28.8 p . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.019 0.438 . . . . 0.0 111.899 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -110.1 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -151.81 112.53 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.766 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.717 0.294 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.733 0.301 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.25 27.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.203 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -111.77 87.58 8.54 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.147 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -74.41 -6.94 19.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.81 2.34 . . . . 0.0 112.315 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -91.74 -141.97 0.19 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.0 t 65.93 34.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mt -89.51 10.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.511 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 p -79.24 -169.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -35.59 76.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 52.8 mt -154.77 161.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 1.3 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.407 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.985 0.421 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -25.94 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.354 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.5 179.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.692 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.46 HD13 HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -86.09 27.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.691 0.282 . . . . 0.0 111.348 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.3 m -117.68 107.79 44.0 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.85 53.57 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.676 2.251 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.55 -148.58 0.21 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 t 47.97 35.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.342 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mt -93.65 17.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 p -120.84 -68.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.09 112.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 66.34 147.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 38.8 t . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.907 0.384 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -66.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -144.25 162.32 36.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.864 0.364 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 27.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.668 0.27 . . . . 0.0 111.525 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.5 69.81 82.25 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.966 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.84 -17.26 46.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.671 2.247 . . . . 0.0 112.53 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -179.63 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 t 71.18 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.18 -160.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m 64.9 -82.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.966 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 p -179.22 77.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 59.62 150.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 15.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.813 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.308 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -35.01 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -160.49 158.99 30.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.793 0.33 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.7 pttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.089 -179.816 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 mttt . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.619 0.247 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.76 27.7 0.37 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.501 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.3 m -109.08 82.6 1.94 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.031 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 74.4 Cg_exo -49.29 -26.72 11.91 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.339 2.026 . . . . 0.0 112.274 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -168.19 132.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.42 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -175.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 pt -113.31 -168.2 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -57.81 -24.34 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -59.11 -23.9 62.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.264 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -149.24 176.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.496 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.914 0.388 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -110.14 -31.32 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -72.55 164.22 26.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.339 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 pttp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.805 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.594 0.235 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.78 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.565 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -59.1 112.55 5.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.06 -22.22 30.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.323 2.015 . . . . 0.0 112.26 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 177.94 140.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.431 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.75 93.91 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.159 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mt -95.07 17.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -114.26 -58.14 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.6 m -68.93 -95.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.647 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -121.72 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.556 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.339 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.556 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 19.8 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.238 0.542 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -80.39 -30.49 37.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -69.87 112.62 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.849 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 6' ' ' ILE . 28.2 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 pttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.748 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.708 0.289 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.68 20.57 13.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.644 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 90.85 4.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.263 . . . . 0.0 111.064 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.66 41.17 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.001 2.468 . . . . 0.0 112.19 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.424 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 1.5 t-20 174.04 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 15' ' ' ASN . 21.5 t 77.89 134.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.892 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 mt -90.65 17.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.563 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 p -147.1 162.16 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.8 p -58.03 -74.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -87.33 -175.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.498 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.559 ' N ' ' HB2' ' A' ' 29' ' ' CYS . 2.0 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.502 . . . . 0.0 110.683 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 21' ' ' CYS . 2.4 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 121.078 0.466 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.25 -30.4 7.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.725 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -139.45 -177.15 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.744 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.048 -179.703 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 130.58 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -89.28 139.06 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.34 111.02 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -145.36 132.98 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.52 157.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -109.39 -48.4 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . 0.434 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 0.4 OUTLIER -72.48 -33.19 66.8 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.492 ' HG3' ' O ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -78.46 -8.0 58.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.757 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 0.1 22.95 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.93 88.97 28.02 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.677 0.275 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.56 -11.99 26.66 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.723 2.282 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.15 -83.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.04 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t 59.79 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.4 -166.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 m -67.42 98.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -167.93 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.1 mp -135.04 -69.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 111.265 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -93.57 -31.49 14.5 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.838 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.43 42.11 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.81 87.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.568 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -163.81 167.63 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.18 68.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.435 ' O ' HG21 ' A' ' 26' ' ' ILE . 4.7 tp 42.85 96.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.884 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.9 p -116.34 -72.6 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.799 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.86 -13.13 12.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.52 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.429 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 29.8 p -69.47 67.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.44 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -89.92 12.25 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.497 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -160.67 119.87 2.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.784 0.326 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -96.02 -57.16 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.096 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.863 0.363 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -79.21 137.22 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -126.4 125.18 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.45 -56.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.5 p90 -125.57 -176.09 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -60.85 160.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.25 -35.13 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.157 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -69.93 -18.3 63.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.768 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.555 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -65.55 -20.31 66.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.352 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.08 -19.63 61.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.73 0.3 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.8 m -70.24 146.82 94.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.58 -60.95 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.557 2.172 . . . . 0.0 112.345 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.407 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 23.4 t-20 -166.89 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' A' ' 15' ' ' ASN . 7.2 p 44.1 58.56 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.575 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 18' ' ' SER . 12.2 mm 68.74 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 83.5 p -102.06 41.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 p -175.99 86.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.723 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 5.8 mt 63.16 154.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 98.5 m -65.61 -54.37 28.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.776 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -178.55 109.35 0.05 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.09 46.21 2.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.584 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.15 30.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.7 mt -136.38 -71.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -165.85 -55.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.12 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -71.97 148.59 45.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.06 -44.62 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.2 t 60.16 118.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.069 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -95.65 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -178.27 160.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.555 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 56.8 m -128.48 -63.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.1 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.62 99.1 9.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -156.04 131.75 9.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.63 -113.47 1.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.55 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.86 -170.56 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 0.0 110.971 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tp -140.19 142.38 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 128.34 54.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -71.41 -27.05 63.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.736 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.568 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -7.64 52.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.38 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.24 27.45 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.532 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -118.25 79.71 15.07 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -81.5 -16.4 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.936 2.424 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.18 -67.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.98 112.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tt -148.27 140.19 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.115 0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t 167.59 -47.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.1 p -175.84 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -132.78 163.46 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.82 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.2 m -117.01 -31.33 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.931 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.44 160.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.215 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.08 -122.24 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.7 m -143.3 17.19 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.563 0.22 . . . . 0.0 111.238 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -164.78 -52.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.1 mm -141.86 147.49 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.671 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.11 119.67 5.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 23.4 10.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.217 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 t -146.05 117.35 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -100.5 -60.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -178.72 132.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.568 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 82.2 m -117.86 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.056 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.26 -45.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 101.7 13.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.09 93.81 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.34 -156.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.507 0.194 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt 67.02 78.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 142.54 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -66.36 -39.34 89.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.237 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.429 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -67.31 -9.56 42.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 27.12 1.17 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.673 0.273 . . . . 0.0 111.239 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 m -118.08 82.15 17.35 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.543 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.01 34.88 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.984 2.456 . . . . 0.0 112.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -178.29 -87.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.044 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t 47.01 84.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.754 0.311 . . . . 0.0 111.398 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.51 133.26 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.33 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.595 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -177.31 84.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 37.6 mt 58.69 44.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 110.967 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 61.3 m 53.71 19.99 2.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.314 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.18 162.03 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.0 0.429 . . . . 0.0 111.301 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.27 -115.6 4.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.669 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -76.06 157.61 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 111.066 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 pp -125.17 120.21 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.95 -66.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 -68.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.61 23.54 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.441 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 58.96 138.86 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.425 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.02 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.7 t30 58.19 -170.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 1.8 m -119.22 -42.19 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.763 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.179 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -94.75 -68.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -80.9 110.85 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.44 58.64 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -113.29 131.94 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt -101.1 106.74 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 138.69 29.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -10.71 59.23 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.474 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -71.96 -7.78 50.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.59 27.53 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.552 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 77.85 12.44 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.599 0.238 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -94.58 19.46 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.126 2.55 . . . . 0.0 112.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -137.47 82.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -179.68 107.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.4 tt -162.36 156.19 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.476 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 1.7 m 83.07 -48.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.355 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 25.64 3.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mt 65.14 130.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 12.9 m -56.77 -22.25 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.25 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 74.76 137.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 111.293 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.94 -59.95 0.24 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -156.57 -179.45 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 0.0 110.775 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.81 64.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.03 0.443 . . . . 0.0 111.027 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -102.53 159.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 p -52.12 -63.08 1.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.86 -69.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 p -175.2 145.1 0.76 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -43.86 95.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 55.95 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.474 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 1.0 OUTLIER -113.67 29.32 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.1 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.916 0.389 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 60.27 107.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -137.11 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.54 -81.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.563 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -177.45 121.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mt -82.86 125.54 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.75 40.13 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.204 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . 0.458 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -78.11 -18.51 55.57 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.458 ' HG2' ' HG2' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.1 5.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.792 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.88 27.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.56 0.219 . . . . 0.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 76.7 m -135.27 63.52 56.23 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.241 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.86 -22.87 70.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.425 2.083 . . . . 0.0 112.165 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.519 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 1.9 t30 -113.32 -24.66 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.519 ' CG1' ' O ' ' A' ' 15' ' ' ASN . 5.8 p 56.55 147.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 O-C-N 123.478 0.486 . . . . 0.0 111.874 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -126.91 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.497 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.11 -169.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.02 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -29.33 68.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.0 -164.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.03 -0.39 26.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.21 -166.24 1.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.729 0.299 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.75 -87.6 1.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -125.99 52.83 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.96 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.8 pt -126.2 -44.42 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 mp 54.14 93.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -164.35 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.81 -8.56 9.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.637 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.8 p 41.31 55.93 3.24 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.21 0.529 . . . . 0.0 111.78 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 -27.88 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -108.54 142.36 39.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.973 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.9 m -115.24 -35.04 4.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.083 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.34 141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.34 164.79 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.72 133.1 22.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -148.89 171.99 15.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt -64.44 -16.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.477 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 109.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -76.34 -5.54 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.428 ' N ' HD12 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -70.41 -7.97 47.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.62 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -87.5 27.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.7 m -113.74 90.17 17.78 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.085 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 37.3 Cg_endo -91.62 -4.46 4.08 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.146 2.564 . . . . 0.0 112.711 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -90.61 51.36 1.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.855 0.359 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 p -158.43 77.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tt -147.06 142.45 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t 171.14 -78.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.622 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -127.49 -67.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -151.59 152.84 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 72.18 1.07 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.56 116.84 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.991 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.44 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.485 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 58.86 78.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.784 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.12 85.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.429 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 tt -81.18 -38.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.73 -59.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.82 -55.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.585 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.9 p -164.51 -158.47 0.42 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.969 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 12.24 10.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -73.71 161.59 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' CB ' ' C ' ' A' ' 10' ' ' DBB . 7.3 t -77.64 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.041 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.801 0.334 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.58 57.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 60.7 103.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.44 130.31 3.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -130.06 -47.62 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 4.1 tt -44.42 -20.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER 83.11 35.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.38 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -58.2 -29.56 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.36 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.515 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -66.0 -18.29 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.44 17.11 11.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.449 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 m -55.77 109.21 1.49 Allowed Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.813 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.63 -16.06 50.26 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.15 1.9 . . . . 0.0 112.405 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -178.44 138.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.98 56.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.98 143.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -42.02 14.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.782 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.24 69.15 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.182 0.515 . . . . 0.0 110.514 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 mt 66.64 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' N ' HG22 ' A' ' 20' ' ' ILE . 3.2 m -81.62 4.16 22.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.387 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 172.4 -172.97 0.04 OUTLIER 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.18 110.75 3.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 p -148.22 172.97 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.64 -54.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 tt -85.63 135.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 m -77.09 62.53 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.95 -33.86 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.461 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.03 141.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.168 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -32.33 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.697 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.42 176.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.227 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.515 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -81.14 -38.77 26.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.039 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -96.95 -170.62 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 108.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.83 -47.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -89.74 124.24 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 pt -117.26 152.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 95.14 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -60.4 -42.37 95.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.449 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -22.47 63.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -96.04 26.91 3.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.8 m -58.03 141.85 80.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 4.3 Cg_exo -80.51 47.95 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.943 2.429 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.76 136.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 111.12 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p 179.02 79.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.833 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.4 mt -139.06 14.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.468 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -102.35 -76.55 0.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.85 -26.08 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 63.39 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -56.03 -45.22 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -166.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.99 43.79 1.63 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.529 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m 56.92 90.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.1 mm -133.52 -66.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.108 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.1 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.13 96.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.047 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.5 -40.54 2.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.88 0.372 . . . . 0.0 111.537 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.25 14.72 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.242 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -78.35 -29.54 47.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -146.26 175.46 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 0.1 OUTLIER -140.04 -62.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.148 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.59 -174.14 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.08 169.75 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.94 -95.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -177.69 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.15 134.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -98.36 34.09 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . 0.409 ' HB3' ' HB ' ' A' ' 16' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.66 -27.48 50.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.408 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt -78.14 -7.92 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.494 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.633 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.0 m -112.58 95.42 32.21 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.657 0.265 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.7 -20.72 34.73 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 0.0 112.828 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.42 -83.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 16' ' ' VAL . 7.9 p 42.94 58.84 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.867 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tt -130.69 132.9 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 111.07 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.68 -75.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -138.49 80.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.338 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 70.77 158.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.49 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -113.73 -23.97 9.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.121 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.52 -172.79 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.35 52.6 0.71 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -150.98 160.61 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pt -103.91 28.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.2 mt -149.2 44.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.23 166.84 30.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.19 23.48 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 28.5 p 39.62 71.48 0.17 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.933 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -75.25 -31.22 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -156.76 147.43 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.598 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 0.5 OUTLIER -76.08 -49.19 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.871 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.232 179.834 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -130.94 -52.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.782 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.46 30.16 12.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.76 176.36 1.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -97.45 147.96 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 tt -133.62 140.65 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.058 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 107.0 9.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.11 30.44 1.43 Allowed 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.414 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -60.44 -17.39 44.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -84.89 10.58 11.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.589 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -46.76 100.68 0.24 Allowed Pre-proline 0 CA--C 1.53 0.21 0 CA-C-O 120.575 0.226 . . . . 0.0 111.201 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.735 2.29 . . . . 0.0 112.563 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.26 -49.75 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.271 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -102.01 123.18 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.375 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -131.63 -161.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.541 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.48 -172.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.865 0.365 . . . . 0.0 111.087 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -62.69 -33.04 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -145.48 -171.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 35.6 m -115.95 -40.11 3.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 179.45 -165.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.17 119.23 17.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.418 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.4 -160.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.622 0.249 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.6 mt -53.92 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -82.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.369 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.4 m -118.94 -21.97 7.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.651 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.3 51.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 0.0 111.478 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 61.24 141.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -47.99 -32.2 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.706 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -77.73 165.26 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -45.63 -51.27 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.341 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.123 -0.942 . . . . 0.0 110.998 179.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.63 137.53 47.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -60.23 110.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.69 136.04 2.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -151.63 168.89 23.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.8 129.07 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -127.74 138.31 52.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.28 -4.86 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -21.06 4.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.076 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 27.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 0.0 111.522 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.92 106.42 6.27 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.29 -12.88 29.24 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.719 2.28 . . . . 0.0 113.015 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -84.22 -144.72 0.08 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.2 t 50.85 73.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.208 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.18 128.02 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 63.05 22.93 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.95 23.64 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.986 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 20' ' ' ILE . 0.4 OUTLIER 63.04 131.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.969 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 11.4 t -78.23 -5.03 50.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.237 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 29' ' ' CYS . . . 75.93 95.96 0.07 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 111.727 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.86 73.35 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m 60.26 158.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.0 mm -100.75 37.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.06 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.68 -44.84 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.5 m -150.17 -76.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.76 -69.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 111.075 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 19.9 p -170.72 117.59 0.5 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.959 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.07 -27.28 69.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.77 120.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -48.44 71.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.145 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.796 0.332 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -98.79 79.41 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -30.75 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.82 83.83 0.34 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -66.39 -25.54 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm 66.83 121.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -135.47 134.08 39.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . 0.441 ' CG ' ' HB2' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -65.68 -26.7 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.513 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -72.6 -7.78 51.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.82 27.12 1.62 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.654 0.264 . . . . 0.0 111.205 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.22 103.91 33.53 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.779 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -77.01 55.72 5.11 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.835 2.357 . . . . 0.0 112.283 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -147.8 24.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.208 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -154.97 99.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 18' ' ' SER . 1.0 OUTLIER -126.92 126.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.439 . . . . 0.0 111.007 179.75 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 7.3 t 160.21 176.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 18' ' ' SER . 53.7 p -50.53 -70.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.479 . . . . 0.0 110.623 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -77.2 -166.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.201 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -123.26 -35.06 3.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.775 0.321 . . . . 0.0 111.196 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.3 173.63 11.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.332 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.62 -42.22 10.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.6 p -60.26 163.15 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 110.803 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.2 mm -129.62 127.79 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -143.12 -47.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.821 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.1 t -168.13 -48.84 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.557 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.19 -69.06 0.86 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.258 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.4 p 173.35 126.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.768 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -25.97 44.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.75 175.42 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.177 0.513 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.513 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 1.2 m -75.68 -48.38 22.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.996 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.81 86.59 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -147.42 162.18 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.29 -152.46 30.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -80.47 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.78 120.34 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.96 73.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . 0.484 ' CG ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 32' ' ' CYS . 2.0 mp -71.28 -37.33 71.87 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.598 ' HG3' ' O ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -78.62 -13.71 59.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.559 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -107.25 27.1 9.39 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.8 m -131.94 93.68 26.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.987 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.65 -20.84 36.26 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.473 2.115 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.29 111.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.06 -164.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 p -78.45 -3.03 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.518 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.1 17.63 12.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 12.3 mm 56.97 158.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.35 0.595 . . . . 0.0 111.626 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 16.9 p -84.93 -42.46 14.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.403 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 70.01 45.91 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.578 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 97.5 0.01 OUTLIER Glycine 0 CA--C 1.517 0.21 0 C-N-CA 121.177 -0.535 . . . . 0.0 113.344 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 t -134.29 101.09 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.758 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mt 68.35 -70.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.12 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -160.9 76.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.98 137.3 39.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.51 -37.97 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 28.8 p 39.35 61.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.899 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -110.1 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -151.81 112.53 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.766 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.48 -30.63 65.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.187 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.87 60.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -92.46 49.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.96 37.5 0.87 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -165.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -164.4 128.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.84 121.43 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -70.13 -7.54 42.43 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.136 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.478 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -73.53 -7.67 52.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.5 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.25 27.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.203 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -111.77 87.58 8.54 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.147 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -74.41 -6.94 19.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.81 2.34 . . . . 0.0 112.315 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -91.74 -141.97 0.19 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.0 t 65.93 34.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.8 mt -89.51 10.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.511 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 p -79.24 -169.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -35.59 76.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 52.8 mt -154.77 161.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 1.3 m -38.09 -35.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.407 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 65.16 84.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.85 99.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.476 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p 49.52 28.69 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.831 0.348 . . . . 0.0 111.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.78 167.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.316 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 pt -108.96 -36.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.226 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 t 176.74 -50.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.95 5.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.812 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.472 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 61.92 101.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.985 0.421 . . . . 0.0 110.343 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -25.94 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.354 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.5 179.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.692 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.478 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 1.6 m -104.54 34.78 2.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.145 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.887 0.375 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -94.98 -34.64 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -94.32 -29.31 15.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.96 64.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.414 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t90 63.36 125.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.46 HD13 HG23 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.9 118.17 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.054 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 107.79 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.983 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . 0.421 ' HG2' ' HG1' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -83.93 23.82 0.98 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.421 ' HG1' ' HG2' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -9.15 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.058 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -86.09 27.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.691 0.282 . . . . 0.0 111.348 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.3 m -117.68 107.79 44.0 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.85 53.57 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.676 2.251 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.55 -148.58 0.21 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.6 t 47.97 35.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.342 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.4 mt -93.65 17.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.367 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 p -120.84 -68.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.09 112.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 66.34 147.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.5 m -74.64 68.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.94 69.81 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -136.43 66.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.44 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.4 t 44.31 42.83 5.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 111.42 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -142.37 -52.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.209 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.1 mt -116.36 158.53 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -62.77 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.035 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.73 -32.85 3.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.453 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 38.8 t 62.66 112.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.736 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -66.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -144.25 162.32 36.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t -96.4 -45.1 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.129 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.9 158.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.016 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -136.24 151.65 49.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.1 -35.37 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -98.79 172.77 7.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.57 81.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -74.46 126.18 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.34 -31.66 37.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.638 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.461 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -58.9 -16.19 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.851 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 27.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.668 0.27 . . . . 0.0 111.525 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.5 69.81 82.25 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.966 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.84 -17.26 46.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.671 2.247 . . . . 0.0 112.53 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -179.63 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.2 t 71.18 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.18 -160.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m 64.9 -82.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.966 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 p -179.22 77.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 59.62 150.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 15.8 p -51.67 -45.18 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.813 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 179.15 107.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.459 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.76 -128.39 11.2 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.024 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 t -154.22 26.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pp -109.03 139.05 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.4 mm 69.96 -65.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 167.53 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.83 -22.89 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 48.47 27.35 1.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -35.01 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -160.49 158.99 30.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.461 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 1.3 m -140.17 -45.05 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.078 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -98.41 36.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 38.64 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.14 129.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -61.29 -70.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.626 0.251 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt 46.32 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.375 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -116.55 48.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.089 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.77 7.77 3.59 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -54.45 -16.34 2.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.652 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.457 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.76 27.7 0.37 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.501 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.3 m -109.08 82.6 1.94 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.031 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.457 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 74.4 Cg_exo -49.29 -26.72 11.91 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.339 2.026 . . . . 0.0 112.274 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -168.19 132.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.42 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.39 -175.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.6 pt -113.31 -168.2 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -57.81 -24.34 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -59.11 -23.9 62.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.264 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 mt -149.24 176.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.496 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.2 m -68.31 -79.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 169.96 41.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.93 81.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 t -138.6 164.94 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.727 0.299 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.8 mt -97.51 30.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.43 158.94 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m 64.17 162.47 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.738 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -27.47 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.815 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 16.9 p -70.97 64.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.056 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -110.14 -31.32 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -72.55 164.22 26.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.3 -51.02 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.135 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.06 168.28 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.39 120.01 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.52 -134.78 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -74.63 -175.89 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 110.715 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.9 pp -81.14 112.9 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.252 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -135.26 31.44 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -92.24 -1.03 57.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -179.081 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.411 ' N ' HD12 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -62.32 -20.58 64.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.51 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.78 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.565 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -59.1 112.55 5.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.06 -22.22 30.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.323 2.015 . . . . 0.0 112.26 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 177.94 140.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.431 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 t -108.75 93.91 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.159 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.8 mt -95.07 17.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -114.26 -58.14 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.6 m -68.93 -95.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.647 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 33.4 mm -121.72 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.556 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER 49.9 38.66 16.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.339 -179.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.25 93.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.724 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.68 51.09 57.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.58 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 171.56 16.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mm -101.03 -66.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mt -148.99 101.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.015 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 p -155.4 -58.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.93 -20.33 12.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.556 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 19.8 p -85.92 56.5 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 111.038 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -80.39 -30.49 37.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -69.87 112.62 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.9 m -80.42 -55.53 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.075 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.44 91.24 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -136.76 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 94.21 0.32 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -62.74 143.25 57.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.808 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 6' ' ' ILE . 28.2 mt -110.63 100.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -132.56 106.99 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' DBB . . . . . 0.424 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.26 -26.6 22.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' DBB . . . . . 0.505 ' HG3' ' O ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -23.1 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.217 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.68 20.57 13.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.644 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HB2' ' CG ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -148.18 90.85 4.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.263 . . . . 0.0 111.064 179.657 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.66 41.17 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.001 2.468 . . . . 0.0 112.19 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.424 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 1.5 t-20 174.04 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 15' ' ' ASN . 21.5 t 77.89 134.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.892 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.5 mt -90.65 17.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.563 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 p -147.1 162.16 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.8 p -58.03 -74.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -87.33 -175.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.498 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.559 ' N ' ' HB2' ' A' ' 29' ' ' CYS . 2.0 m -131.92 -45.94 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.502 . . . . 0.0 110.683 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.67 -175.9 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.209 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.03 -128.4 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.639 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p 61.25 153.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mt -109.91 -32.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.42 -54.98 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.96 162.99 17.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.81 -69.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 21' ' ' CYS . 2.4 t -145.91 95.44 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.25 -30.4 7.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.725 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -139.45 -177.15 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.744 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.2 m -118.53 -36.88 3.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.048 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.4 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 6' ' ' ILE . 11.9 mtmm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 0.1 22.95 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.93 88.97 28.02 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.677 0.275 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.56 -11.99 26.66 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.723 2.282 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.15 -83.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.04 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.648 ' C ' HD13 ' A' ' 17' ' ' ILE . 22.0 t 59.79 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -123.4 -166.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.45 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.4 m -67.42 98.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 20' ' ' ILE . 9.5 p -167.93 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.559 HD12 ' OG ' ' A' ' 19' ' ' SER . 3.1 mp -135.04 -69.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.831 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 20' ' ' ILE . 29.8 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.025 0.44 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -89.92 12.25 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.497 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -160.67 119.87 2.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.784 0.326 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 7' ' ' LYS . 1.5 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.157 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.551 0.215 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.08 -19.63 61.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.73 0.3 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.8 m -70.24 146.82 94.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.58 -60.95 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.557 2.172 . . . . 0.0 112.345 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.41 ' C ' HG12 ' A' ' 16' ' ' VAL . 23.4 t-20 -166.89 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 16' ' ' VAL . 7.2 p 44.1 58.56 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.575 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 18' ' ' SER . 12.2 mm 68.74 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 17' ' ' ILE . 83.5 p -102.06 41.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 p -175.99 86.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.723 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 5.8 mt 63.16 154.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 98.5 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.776 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.925 0.393 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -95.65 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -178.27 160.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.593 0.235 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.24 27.45 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.532 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -118.25 79.71 15.07 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -81.5 -16.4 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.936 2.424 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.18 -67.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.98 112.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tt -148.27 140.19 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.115 0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t 167.59 -47.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.1 p -175.84 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 21' ' ' CYS . 14.8 mm -132.78 163.46 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.82 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.548 ' N ' HG22 ' A' ' 20' ' ' ILE . 7.2 m . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.931 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -100.5 -60.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -178.72 132.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.513 0.197 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 27.12 1.17 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.673 0.273 . . . . 0.0 111.239 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 m -118.08 82.15 17.35 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.543 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.01 34.88 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.984 2.456 . . . . 0.0 112.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -178.29 -87.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.044 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t 47.01 84.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.754 0.311 . . . . 0.0 111.398 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.51 133.26 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.33 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.595 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -177.31 84.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 20' ' ' ILE . 37.6 mt 58.69 44.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 110.967 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 61.3 m . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.314 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.995 0.426 . . . . 0.0 111.425 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.02 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.7 t30 58.19 -170.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.763 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.314 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.558 0.218 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.59 27.53 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.552 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 77.85 12.44 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.599 0.238 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -94.58 19.46 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.126 2.55 . . . . 0.0 112.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -137.47 82.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 16' ' ' VAL . 11.4 p -179.68 107.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.4 tt -162.36 156.19 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.476 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 1.7 m 83.07 -48.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.355 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 25.64 3.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mt 65.14 130.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 12.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.25 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 p . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.879 0.371 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -43.86 95.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 55.95 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.693 0.282 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.204 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.88 27.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.56 0.219 . . . . 0.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 76.7 m -135.27 63.52 56.23 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.241 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 13' ' ' CYS . 37.0 Cg_exo -59.86 -22.87 70.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.425 2.083 . . . . 0.0 112.165 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.801 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.9 t30 -113.32 -24.66 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 15' ' ' ASN . 5.8 p 56.55 147.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 O-C-N 123.478 0.486 . . . . 0.0 111.874 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -126.91 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.497 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 63.11 -169.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.02 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -29.33 68.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.0 -164.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 19.8 p . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.21 0.529 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 -27.88 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -108.54 142.36 39.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.973 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.714 0.292 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -87.5 27.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.7 m -113.74 90.17 17.78 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.085 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 37.3 Cg_endo -91.62 -4.46 4.08 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.146 2.564 . . . . 0.0 112.711 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -90.61 51.36 1.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.855 0.359 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 16' ' ' VAL . 7.8 p -158.43 77.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tt -147.06 142.45 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t 171.14 -78.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.622 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -127.49 -67.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -151.59 152.84 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 12.24 10.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -73.71 161.59 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.38 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.673 0.273 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.44 17.11 11.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.449 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 m -55.77 109.21 1.49 Allowed Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.813 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.63 -16.06 50.26 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.15 1.9 . . . . 0.0 112.405 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -178.44 138.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 16' ' ' VAL . 7.1 p -140.98 56.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.98 143.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -42.02 14.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.782 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.24 69.15 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.182 0.515 . . . . 0.0 110.514 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 mt 66.64 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 m . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.387 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.923 0.392 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -32.33 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.697 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.42 176.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.227 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.733 0.301 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -96.04 26.91 3.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.8 m -58.03 141.85 80.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 4.3 Cg_exo -80.51 47.95 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.943 2.429 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.76 136.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 111.12 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 29' ' ' CYS . 4.9 p 179.02 79.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.833 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 17' ' ' ILE . 21.4 mt -139.06 14.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.468 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -102.35 -76.55 0.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.85 -26.08 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 63.39 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.076 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.628 0.251 . . . . 0.0 111.242 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CG ' HG23 ' A' ' 17' ' ' ILE . 7.8 tttm -78.35 -29.54 47.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -146.26 175.46 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.9 0.381 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.626 0.251 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.633 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.0 m -112.58 95.42 32.21 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.657 0.265 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.7 -20.72 34.73 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 0.0 112.828 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.42 -83.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 16' ' ' VAL . 7.9 p 42.94 58.84 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.867 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tt -130.69 132.9 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 111.07 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.68 -75.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -138.49 80.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.338 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 70.77 158.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.49 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.121 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 28.5 p . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.879 0.371 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -75.25 -31.22 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -156.76 147.43 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.598 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.599 0.238 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -84.89 10.58 11.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.589 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -46.76 100.68 0.24 Allowed Pre-proline 0 CA--C 1.53 0.21 0 CA-C-O 120.575 0.226 . . . . 0.0 111.201 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.735 2.29 . . . . 0.0 112.563 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.26 -49.75 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.271 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 ' ND2' ' A' ' 31' ' ' ASN . 4.6 m -102.01 123.18 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.375 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -131.63 -161.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.541 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER 75.48 -172.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.865 0.365 . . . . 0.0 111.087 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -62.69 -33.04 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -145.48 -171.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.517 ' H ' HG22 ' A' ' 20' ' ' ILE . 35.6 m . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 121.02 0.438 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -47.99 -32.2 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.706 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.495 ' ND2' HG11 ' A' ' 16' ' ' VAL . 2.0 m120 -77.73 165.26 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.341 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.889 0.375 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.754 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 27.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 0.0 111.522 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.92 106.42 6.27 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.29 -12.88 29.24 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.719 2.28 . . . . 0.0 113.015 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -84.22 -144.72 0.08 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 21' ' ' CYS . 28.2 t 50.85 73.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.208 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.18 128.02 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 63.05 22.93 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -134.95 23.64 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.986 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 63.04 131.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.969 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 11.4 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.237 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 19.9 p . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.07 -27.28 69.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.77 120.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.718 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.568 0.223 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.82 27.12 1.62 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.654 0.264 . . . . 0.0 111.205 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.22 103.91 33.53 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.779 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -77.01 55.72 5.11 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.835 2.357 . . . . 0.0 112.283 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -147.8 24.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.208 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -154.97 99.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -126.92 126.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.439 . . . . 0.0 111.007 179.75 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 7.3 t 160.21 176.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 18' ' ' SER . 53.7 p -50.53 -70.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.479 . . . . 0.0 110.623 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.73 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -77.2 -166.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.201 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.73 ' N ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.775 0.321 . . . . 0.0 111.196 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -25.97 44.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' HB3' ' CB ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -69.75 175.42 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.177 0.513 . . . . 0.0 111.063 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.899 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.847 0.356 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.547 0.213 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -107.25 27.1 9.39 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.8 m -131.94 93.68 26.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.987 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.65 -20.84 36.26 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.473 2.115 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.29 111.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -115.06 -164.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.419 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.9 p -78.45 -3.03 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.518 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.1 17.63 12.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 21' ' ' CYS . 12.3 mm 56.97 158.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.35 0.595 . . . . 0.0 111.626 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 16.9 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.403 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 28.8 p . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.019 0.438 . . . . 0.0 111.899 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -110.1 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -151.81 112.53 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.766 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.717 0.294 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.733 0.301 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.25 27.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.203 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -111.77 87.58 8.54 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.147 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -74.41 -6.94 19.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.81 2.34 . . . . 0.0 112.315 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -91.74 -141.97 0.19 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 21' ' ' CYS . 17.0 t 65.93 34.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 17' ' ' ILE . 21.8 mt -89.51 10.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.511 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 p -79.24 -169.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -35.59 76.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.544 HG22 ' N ' ' A' ' 21' ' ' CYS . 52.8 mt -154.77 161.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HA ' HG13 ' A' ' 16' ' ' VAL . 1.3 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.407 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.985 0.421 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -25.94 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.354 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.5 179.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.692 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.494 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.983 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -86.09 27.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.691 0.282 . . . . 0.0 111.348 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.3 m -117.68 107.79 44.0 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.85 53.57 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.676 2.251 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.55 -148.58 0.21 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.6 t 47.97 35.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 17' ' ' ILE . 20.4 mt -93.65 17.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.367 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 p -120.84 -68.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.09 112.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 66.34 147.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 38.8 t . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.907 0.384 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -66.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -144.25 162.32 36.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.864 0.364 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 27.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.668 0.27 . . . . 0.0 111.525 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.5 69.81 82.25 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.966 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.84 -17.26 46.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.671 2.247 . . . . 0.0 112.53 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -179.63 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 17' ' ' ILE . 16.2 t 71.18 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -120.18 -160.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m 64.9 -82.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.966 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 p -179.22 77.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 59.62 150.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 15.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.813 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.308 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -35.01 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -160.49 158.99 30.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.793 0.33 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.7 pttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.089 -179.816 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 mttt . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.619 0.247 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.76 27.7 0.37 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.501 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.3 m -109.08 82.6 1.94 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.031 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 74.4 Cg_exo -49.29 -26.72 11.91 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.339 2.026 . . . . 0.0 112.274 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -168.19 132.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.42 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.39 -175.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 16' ' ' VAL . 3.6 pt -113.31 -168.2 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -57.81 -24.34 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -59.11 -23.9 62.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.264 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.719 HG22 ' HB2' ' A' ' 29' ' ' CYS . 1.1 mt -149.24 176.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.496 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' ILE . 74.2 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.719 ' HB2' HG22 ' A' ' 20' ' ' ILE . 16.9 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.914 0.388 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -110.14 -31.32 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -72.55 164.22 26.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.9 pp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.339 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 pttp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.805 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.594 0.235 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.78 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.565 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -59.1 112.55 5.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.06 -22.22 30.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.323 2.015 . . . . 0.0 112.26 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 177.94 140.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.431 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 19' ' ' SER . 25.7 t -108.75 93.91 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.159 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 17' ' ' ILE . 20.8 mt -95.07 17.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -114.26 -58.14 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.457 ' HB2' HG11 ' A' ' 16' ' ' VAL . 39.6 m -68.93 -95.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.647 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 21' ' ' CYS . 33.4 mm -121.72 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.339 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.564 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 19.8 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.238 0.542 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -80.39 -30.49 37.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -69.87 112.62 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.849 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 pttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.748 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.708 0.289 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.68 20.57 13.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.644 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 90.85 4.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.263 . . . . 0.0 111.064 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.66 41.17 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.001 2.468 . . . . 0.0 112.19 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 1.5 t-20 174.04 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 18' ' ' SER . 21.5 t 77.89 134.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.892 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 17' ' ' ILE . 19.5 mt -90.65 17.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.563 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.687 ' H ' HG12 ' A' ' 16' ' ' VAL . 3.8 p -147.1 162.16 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.8 p -58.03 -74.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -87.33 -175.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.498 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.664 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.0 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.502 . . . . 0.0 110.683 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 21' ' ' CYS . 2.4 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 121.078 0.466 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.25 -30.4 7.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.725 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -139.45 -177.15 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.744 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.048 -179.703 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 130.58 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -89.28 139.06 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.34 111.02 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -145.36 132.98 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.4 mt -79.52 157.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 6' ' ' ILE . 11.9 mtmm -109.39 -48.4 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.656 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.77 HD13 ' HB2' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -72.48 -33.19 66.8 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.656 ' HG2' ' HG2' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -78.46 -8.0 58.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.757 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.77 ' HB2' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -107.27 0.1 22.95 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.93 88.97 28.02 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.677 0.275 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.56 -11.99 26.66 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.723 2.282 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.15 -83.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.04 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.648 ' C ' HD13 ' A' ' 17' ' ' ILE . 22.0 t 59.79 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -123.4 -166.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.45 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.4 m -67.42 98.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 20' ' ' ILE . 9.5 p -167.93 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD12 ' OG ' ' A' ' 19' ' ' SER . 3.1 mp -135.04 -69.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -93.57 -31.49 14.5 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.838 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.43 42.11 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.81 87.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.568 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -163.81 167.63 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.18 68.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 26' ' ' ILE . 4.7 tp 42.85 96.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.884 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.9 p -116.34 -72.6 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.799 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.86 -13.13 12.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.52 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 20' ' ' ILE . 29.8 p -69.47 67.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.44 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -89.92 12.25 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.497 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -160.67 119.87 2.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.784 0.326 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -96.02 -57.16 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.096 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.863 0.363 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -79.21 137.22 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -126.4 125.18 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.45 -56.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.5 p90 -125.57 -176.09 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.925 HG21 HD12 ' A' ' 9' ' ' LEU . 1.5 mp -60.85 160.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.25 -35.13 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.157 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.453 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -69.93 -18.3 63.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.768 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.943 ' N ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -65.55 -20.31 66.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.352 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.08 -19.63 61.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.73 0.3 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.8 m -70.24 146.82 94.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.58 -60.95 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.557 2.172 . . . . 0.0 112.345 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' C ' HG12 ' A' ' 16' ' ' VAL . 23.4 t-20 -166.89 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 16' ' ' VAL . 7.2 p 44.1 58.56 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.575 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 18' ' ' SER . 12.2 mm 68.74 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 17' ' ' ILE . 83.5 p -102.06 41.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 p -175.99 86.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.723 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 28' ' ' ALA . 5.8 mt 63.16 154.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 98.5 m -65.61 -54.37 28.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.776 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -178.55 109.35 0.05 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.09 46.21 2.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.584 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.15 30.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 26' ' ' ILE . 41.7 mt -136.38 -71.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -165.85 -55.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.568 HG23 HD12 ' A' ' 26' ' ' ILE . 1.1 p -71.97 148.59 45.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 20' ' ' ILE . . . -89.06 -44.62 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.2 t 60.16 118.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.069 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -95.65 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -178.27 160.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.557 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 56.8 m -128.48 -63.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.1 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.62 99.1 9.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -156.04 131.75 9.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.63 -113.47 1.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.55 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.86 -170.56 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 0.0 110.971 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tp -140.19 142.38 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 128.34 54.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.469 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 9' ' ' LEU . 2.2 pt? -71.41 -27.05 63.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.736 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.572 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -7.64 52.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.38 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.24 27.45 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.532 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' SG ' HD23 ' A' ' 9' ' ' LEU . 84.0 m -118.25 79.71 15.07 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -81.5 -16.4 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.936 2.424 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.18 -67.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.98 112.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tt -148.27 140.19 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.115 0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t 167.59 -47.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.1 p -175.84 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 21' ' ' CYS . 14.8 mm -132.78 163.46 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.82 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.548 ' N ' HG22 ' A' ' 20' ' ' ILE . 7.2 m -117.01 -31.33 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.931 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.44 160.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.215 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.08 -122.24 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.7 m -143.3 17.19 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.563 0.22 . . . . 0.0 111.238 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.743 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -164.78 -52.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.743 HD13 ' O ' ' A' ' 25' ' ' ILE . 24.1 mm -141.86 147.49 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.671 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.11 119.67 5.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 23.4 10.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.217 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 t -146.05 117.35 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -100.5 -60.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -178.72 132.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.572 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 82.2 m -117.86 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.056 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.26 -45.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 101.7 13.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.09 93.81 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.34 -156.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.507 0.194 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt 67.02 78.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 142.54 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.572 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 9' ' ' LEU . 2.4 tt -66.36 -39.34 89.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.237 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.508 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -67.31 -9.56 42.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 27.12 1.17 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.673 0.273 . . . . 0.0 111.239 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 48.8 m -118.08 82.15 17.35 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.01 34.88 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.984 2.456 . . . . 0.0 112.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -178.29 -87.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.044 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 8' ' ' DBB . 21.6 t 47.01 84.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.754 0.311 . . . . 0.0 111.398 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.51 133.26 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.33 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.595 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -177.31 84.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 20' ' ' ILE . 37.6 mt 58.69 44.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 110.967 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 61.3 m 53.71 19.99 2.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.314 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.18 162.03 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.0 0.429 . . . . 0.0 111.301 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.27 -115.6 4.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.669 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -76.06 157.61 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 111.066 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.622 ' O ' HD12 ' A' ' 25' ' ' ILE . 2.4 pp -125.17 120.21 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.95 -66.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 -68.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.61 23.54 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 58.96 138.86 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.425 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.02 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.7 t30 58.19 -170.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.572 ' SG ' ' HG2' ' A' ' 8' ' ' DBB . 1.8 m -119.22 -42.19 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.763 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.179 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -94.75 -68.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -80.9 110.85 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.44 58.64 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -113.29 131.94 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.073 HG22 HD12 ' A' ' 9' ' ' LEU . 4.8 mt -101.1 106.74 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 138.69 29.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.43 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.073 HD12 HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.47 -10.71 59.23 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.601 ' H ' HD22 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -71.96 -7.78 50.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.59 27.53 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.552 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 72.5 m -117.96 77.85 12.44 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.599 0.238 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -94.58 19.46 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.126 2.55 . . . . 0.0 112.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -137.47 82.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 16' ' ' VAL . 11.4 p -179.68 107.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.4 tt -162.36 156.19 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.476 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 1.7 m 83.07 -48.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.355 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 25.64 3.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.855 HG22 ' H ' ' A' ' 22' ' ' ALA . 32.8 mt 65.14 130.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 12.9 m -56.77 -22.25 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.25 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.855 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 74.76 137.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 111.293 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.94 -59.95 0.24 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -156.57 -179.45 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 0.0 110.775 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.81 64.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.03 0.443 . . . . 0.0 111.027 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -102.53 159.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 p -52.12 -63.08 1.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 20' ' ' ILE . . . -102.86 -69.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 p -175.2 145.1 0.76 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -43.86 95.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 55.95 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 1.0 OUTLIER -113.67 29.32 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.1 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.916 0.389 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 60.27 107.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -137.11 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.54 -81.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.563 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -177.45 121.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mt -82.86 125.54 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.75 40.13 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.204 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.423 ' CG ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -78.11 -18.51 55.57 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.423 ' HG2' ' CG ' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.1 5.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.792 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.88 27.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.56 0.219 . . . . 0.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 76.7 m -135.27 63.52 56.23 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.241 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 13' ' ' CYS . 37.0 Cg_exo -59.86 -22.87 70.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.425 2.083 . . . . 0.0 112.165 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.801 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.9 t30 -113.32 -24.66 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 15' ' ' ASN . 5.8 p 56.55 147.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 O-C-N 123.478 0.486 . . . . 0.0 111.874 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -126.91 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.497 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 63.11 -169.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.02 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -29.33 68.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -150.0 -164.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -105.03 -0.39 26.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.058 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' A' ' 25' ' ' ILE . . . -110.21 -166.24 1.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.729 0.299 . . . . 0.0 111.099 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.75 -87.6 1.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -125.99 52.83 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.96 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' HB1' ' A' ' 22' ' ' ALA . 4.8 pt -126.2 -44.42 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 20' ' ' ILE . 3.2 mp 54.14 93.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -164.35 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.81 -8.56 9.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.637 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 19.8 p 41.31 55.93 3.24 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.21 0.529 . . . . 0.0 111.78 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 -27.88 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -108.54 142.36 39.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.973 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.9 m -115.24 -35.04 4.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.083 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.34 141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.34 164.79 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.72 133.1 22.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -148.89 171.99 15.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt -64.44 -16.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.477 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 109.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -76.34 -5.54 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.562 ' H ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -70.41 -7.97 47.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.62 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -87.5 27.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.7 m -113.74 90.17 17.78 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.085 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 37.3 Cg_endo -91.62 -4.46 4.08 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.146 2.564 . . . . 0.0 112.711 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -90.61 51.36 1.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.855 0.359 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 16' ' ' VAL . 7.8 p -158.43 77.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tt -147.06 142.45 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t 171.14 -78.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.622 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -127.49 -67.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -151.59 152.84 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 72.18 1.07 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.56 116.84 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.991 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.44 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.485 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 58.86 78.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.784 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.12 85.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.429 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.435 HG23 ' OG1' ' A' ' 27' ' ' THR . 1.9 tt -81.18 -38.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -133.73 -59.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.82 -55.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.585 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.9 p -164.51 -158.47 0.42 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.969 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 12.24 10.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -73.71 161.59 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' CB ' ' C ' ' A' ' 10' ' ' DBB . 7.3 t -77.64 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.041 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.801 0.334 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.58 57.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 60.7 103.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.44 130.31 3.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -130.06 -47.62 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.748 HD13 HD22 ' A' ' 9' ' ' LEU . 4.1 tt -44.42 -20.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER 83.11 35.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.38 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.449 ' HG1' ' HB3' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD11 ' HB2' ' A' ' 12' ' ' ASP . 1.1 pt? -58.2 -29.56 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.36 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.513 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 23.8 mttt -66.0 -18.29 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.758 ' HB2' HD11 ' A' ' 9' ' ' LEU . 6.0 m-20 -93.44 17.11 11.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.449 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HB3' ' HG1' ' A' ' 8' ' ' DBB . 13.3 m -55.77 109.21 1.49 Allowed Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.63 -16.06 50.26 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.15 1.9 . . . . 0.0 112.405 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -178.44 138.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 16' ' ' VAL . 7.1 p -140.98 56.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.98 143.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -42.02 14.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.782 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.24 69.15 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.182 0.515 . . . . 0.0 110.514 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 mt 66.64 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 3.2 m -81.62 4.16 22.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.387 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' CYS . . . 172.4 -172.97 0.04 OUTLIER 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.18 110.75 3.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 p -148.22 172.97 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.64 -54.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 tt -85.63 135.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 m -77.09 62.53 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.95 -33.86 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.461 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 61.03 141.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.168 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -32.33 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.697 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.42 176.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.227 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.513 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -81.14 -38.77 26.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -96.95 -170.62 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 108.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.83 -47.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -89.74 124.24 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.718 HD12 HD11 ' A' ' 9' ' ' LEU . 13.6 pt -117.26 152.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 95.14 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.507 ' HG1' ' HB3' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.4 -42.37 95.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.464 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -22.47 63.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.545 ' OD2' HD23 ' A' ' 9' ' ' LEU . 5.7 p-10 -96.04 26.91 3.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' HB3' ' HG1' ' A' ' 8' ' ' DBB . 1.8 m -58.03 141.85 80.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 4.3 Cg_exo -80.51 47.95 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.943 2.429 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.76 136.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 111.12 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 29' ' ' CYS . 4.9 p 179.02 79.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.833 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.587 HG22 ' O ' ' A' ' 17' ' ' ILE . 21.4 mt -139.06 14.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.468 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -102.35 -76.55 0.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.85 -26.08 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 63.39 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -56.03 -45.22 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -166.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.99 43.79 1.63 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.529 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.618 ' O ' HD13 ' A' ' 25' ' ' ILE . 1.2 m 56.92 90.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.618 HD13 ' O ' ' A' ' 24' ' ' THR . 30.1 mm -133.52 -66.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.108 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.1 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.13 96.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.047 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.5 -40.54 2.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.88 0.372 . . . . 0.0 111.537 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.547 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -129.25 14.72 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.242 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CG ' HG23 ' A' ' 17' ' ' ILE . 7.8 tttm -78.35 -29.54 47.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -146.26 175.46 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 0.1 OUTLIER -140.04 -62.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.148 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.59 -174.14 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.08 169.75 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.94 -95.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -177.69 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG22 ' H ' ' A' ' 8' ' ' DBB . 3.8 mp -141.15 134.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -98.36 34.09 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.565 ' H ' HG22 ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -55.66 -27.48 50.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.481 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 10.4 mtpt -78.14 -7.92 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.494 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.797 ' HB2' HD11 ' A' ' 9' ' ' LEU . 1.2 m-20 -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.633 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 95.0 m -112.58 95.42 32.21 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.657 0.265 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.7 -20.72 34.73 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 0.0 112.828 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.42 -83.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG22 ' O ' ' A' ' 16' ' ' VAL . 7.9 p 42.94 58.84 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.867 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tt -130.69 132.9 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 111.07 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.68 -75.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -138.49 80.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.338 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 70.77 158.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.49 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -113.73 -23.97 9.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.121 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.52 -172.79 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.35 52.6 0.71 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -150.98 160.61 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pt -103.91 28.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.554 HG22 ' O ' ' A' ' 26' ' ' ILE . 27.2 mt -149.2 44.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.23 166.84 30.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.19 23.48 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 28.5 p 39.62 71.48 0.17 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.933 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -75.25 -31.22 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -156.76 147.43 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.598 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 0.5 OUTLIER -76.08 -49.19 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.871 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 11' ' ' LYS . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.232 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -130.94 -52.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.782 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.46 30.16 12.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.76 176.36 1.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -97.45 147.96 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 tt -133.62 140.65 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.058 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 107.0 9.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.417 ' HG1' ' HB3' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.657 ' H ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -92.11 30.44 1.43 Allowed 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.092 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.413 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.903 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 18.6 mttt -60.44 -17.39 44.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -84.89 10.58 11.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.589 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HB3' ' HG1' ' A' ' 8' ' ' DBB . 12.6 m -46.76 100.68 0.24 Allowed Pre-proline 0 CA--C 1.53 0.21 0 CA-C-O 120.575 0.226 . . . . 0.0 111.201 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.735 2.29 . . . . 0.0 112.563 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.26 -49.75 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.271 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 ' ND2' ' A' ' 31' ' ' ASN . 4.6 m -102.01 123.18 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.375 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -131.63 -161.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.541 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER 75.48 -172.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.865 0.365 . . . . 0.0 111.087 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -62.69 -33.04 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -145.48 -171.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.517 ' H ' HG22 ' A' ' 20' ' ' ILE . 35.6 m -115.95 -40.11 3.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 179.45 -165.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.17 119.23 17.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.418 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -161.4 -160.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.622 0.249 . . . . 0.0 110.917 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG22 HG12 ' A' ' 26' ' ' ILE . 34.6 mt -53.92 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -150.23 -82.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.369 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.482 ' HA ' HG23 ' A' ' 20' ' ' ILE . 12.4 m -118.94 -21.97 7.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.651 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.3 51.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 0.0 111.478 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 61.24 141.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' N ' HG21 ' A' ' 24' ' ' THR . 15.5 ttpt -47.99 -32.2 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.706 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.495 ' ND2' HG11 ' A' ' 16' ' ' VAL . 2.0 m120 -77.73 165.26 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -45.63 -51.27 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.341 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.903 ' HB3' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.123 -0.942 . . . . 0.0 110.998 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.63 137.53 47.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -60.23 110.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.69 136.04 2.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -151.63 168.89 23.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.8 129.07 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -127.74 138.31 52.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.425 ' CG ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.625 HD21 ' CB ' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -94.28 -4.86 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.425 ' HG2' ' CG ' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -21.06 4.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.076 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.625 ' CB ' HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -89.23 27.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 0.0 111.522 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.92 106.42 6.27 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.29 -12.88 29.24 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.719 2.28 . . . . 0.0 113.015 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -84.22 -144.72 0.08 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 21' ' ' CYS . 28.2 t 50.85 73.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.208 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.18 128.02 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 63.05 22.93 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -134.95 23.64 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.986 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.54 HG23 ' H ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER 63.04 131.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.969 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 11.4 t -78.23 -5.03 50.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.237 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' H ' HG23 ' A' ' 20' ' ' ILE . . . 75.93 95.96 0.07 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 111.727 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.86 73.35 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m 60.26 158.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 20' ' ' ILE . 14.0 mm -100.75 37.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 27' ' ' THR . 12.7 tt -80.68 -44.84 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.484 ' N ' HG23 ' A' ' 26' ' ' ILE . 94.5 m -150.17 -76.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.76 -69.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 111.075 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 19.9 p -170.72 117.59 0.5 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.959 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.07 -27.28 69.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.77 120.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -48.44 71.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.145 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.796 0.332 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -98.79 79.41 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -30.75 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.82 83.83 0.34 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -66.39 -25.54 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm 66.83 121.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -135.47 134.08 39.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.444 ' CG ' ' HB2' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD23 ' SG ' ' A' ' 13' ' ' CYS . 2.3 pt? -65.68 -26.7 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.514 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -72.6 -7.78 51.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.82 27.12 1.62 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.654 0.264 . . . . 0.0 111.205 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.547 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.8 m -102.22 103.91 33.53 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.779 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -77.01 55.72 5.11 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.835 2.357 . . . . 0.0 112.283 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -147.8 24.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.208 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -154.97 99.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -126.92 126.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.439 . . . . 0.0 111.007 179.75 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 7.3 t 160.21 176.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 18' ' ' SER . 53.7 p -50.53 -70.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.479 . . . . 0.0 110.623 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.73 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -77.2 -166.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.201 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.73 ' N ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -123.26 -35.06 3.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.775 0.321 . . . . 0.0 111.196 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . . . -132.3 173.63 11.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.332 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.62 -42.22 10.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' HD13 ' A' ' 25' ' ' ILE . 76.6 p -60.26 163.15 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 24' ' ' THR . 26.2 mm -129.62 127.79 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -143.12 -47.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.821 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 28' ' ' ALA . 8.1 t -168.13 -48.84 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.557 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 27' ' ' THR . . . -121.19 -69.06 0.86 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.258 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.4 p 173.35 126.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.768 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -25.97 44.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.626 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -69.75 175.42 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.177 0.513 . . . . 0.0 111.063 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 1.2 m -75.68 -48.38 22.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.996 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.81 86.59 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -147.42 162.18 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.29 -152.46 30.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -80.47 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.78 120.34 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.96 73.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.601 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.541 ' H ' HD12 ' A' ' 9' ' ' LEU . 2.0 mp -71.28 -37.33 71.87 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.644 ' HG3' ' O ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -78.62 -13.71 59.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.559 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' HB3' HD13 ' A' ' 9' ' ' LEU . 4.9 t70 -107.25 27.1 9.39 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.8 m -131.94 93.68 26.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.987 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.65 -20.84 36.26 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.473 2.115 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.29 111.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -115.06 -164.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.419 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.9 p -78.45 -3.03 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.518 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.1 17.63 12.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 21' ' ' CYS . 12.3 mm 56.97 158.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.35 0.595 . . . . 0.0 111.626 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 16.9 p -84.93 -42.46 14.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.403 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . 70.01 45.91 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.578 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 97.5 0.01 OUTLIER Glycine 0 CA--C 1.517 0.21 0 C-N-CA 121.177 -0.535 . . . . 0.0 113.344 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 t -134.29 101.09 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.758 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 26' ' ' ILE . 20.0 mt 68.35 -70.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.12 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -160.9 76.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.98 137.3 39.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.51 -37.97 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 28.8 p 39.35 61.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.899 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -110.1 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -151.81 112.53 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.766 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.48 -30.63 65.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.187 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.87 60.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -92.46 49.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.96 37.5 0.87 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -165.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -164.4 128.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.84 121.43 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.404 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.627 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.13 -7.54 42.43 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.136 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.586 ' H ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -73.53 -7.67 52.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.25 27.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.203 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 84.0 m -111.77 87.58 8.54 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.147 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -74.41 -6.94 19.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.81 2.34 . . . . 0.0 112.315 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -91.74 -141.97 0.19 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 21' ' ' CYS . 17.0 t 65.93 34.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 17' ' ' ILE . 21.8 mt -89.51 10.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.511 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 p -79.24 -169.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -35.59 76.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.551 HG22 HG21 ' A' ' 25' ' ' ILE . 52.8 mt -154.77 161.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HA ' HG13 ' A' ' 16' ' ' VAL . 1.3 m -38.09 -35.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.407 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 65.16 84.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' H ' HG23 ' A' ' 25' ' ' ILE . . . 143.85 99.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.476 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p 49.52 28.69 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.831 0.348 . . . . 0.0 111.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.551 HG21 HG22 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -54.78 167.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.316 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 27' ' ' THR . 3.2 pt -108.96 -36.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.226 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 4.0 t 176.74 -50.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 27' ' ' THR . . . -120.95 5.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.812 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 61.92 101.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.985 0.421 . . . . 0.0 110.343 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -25.94 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.354 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.5 179.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.692 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 1.6 m -104.54 34.78 2.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.145 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.887 0.375 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -94.98 -34.64 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -94.32 -29.31 15.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.96 64.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.414 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t90 63.36 125.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.9 118.17 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.054 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -97.86 107.79 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.983 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.685 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.551 HD23 ' H ' ' A' ' 9' ' ' LEU . 2.4 pt? -83.93 23.82 0.98 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.685 ' HG2' ' HG2' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -9.15 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.058 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -86.09 27.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.691 0.282 . . . . 0.0 111.348 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.3 m -117.68 107.79 44.0 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.85 53.57 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.676 2.251 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.55 -148.58 0.21 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.6 t 47.97 35.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 17' ' ' ILE . 20.4 mt -93.65 17.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.367 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 p -120.84 -68.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.09 112.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 66.34 147.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.717 ' CB ' HD12 ' A' ' 26' ' ' ILE . 3.5 m -74.64 68.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.94 69.81 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 24' ' ' THR . . . -136.43 66.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.44 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 23' ' ' GLY . 12.4 t 44.31 42.83 5.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 111.42 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.845 HD12 HG13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -142.37 -52.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.209 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.845 HG13 HD12 ' A' ' 25' ' ' ILE . 39.1 mt -116.36 158.53 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 26' ' ' ILE . 1.4 p -62.77 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.73 -32.85 3.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.453 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 38.8 t 62.66 112.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.736 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -66.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -144.25 162.32 36.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' HB2' ' HG1' ' A' ' 10' ' ' DBB . 1.9 t -96.4 -45.1 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.129 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.9 158.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.016 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -136.24 151.65 49.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.1 -35.37 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -98.79 172.77 7.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.419 HG22 ' HB3' ' A' ' 9' ' ' LEU . 3.4 mp -97.57 81.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -74.46 126.18 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -80.34 -31.66 37.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.638 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.496 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -58.9 -16.19 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.851 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.6 ' CB ' HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -88.13 27.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.668 0.27 . . . . 0.0 111.525 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.5 69.81 82.25 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.966 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.84 -17.26 46.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.671 2.247 . . . . 0.0 112.53 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -179.63 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 17' ' ' ILE . 16.2 t 71.18 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -120.18 -160.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m 64.9 -82.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.966 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 p -179.22 77.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.549 HG23 ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER 59.62 150.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.172 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 15.8 p -51.67 -45.18 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.813 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' H ' HG23 ' A' ' 20' ' ' ILE . . . 179.15 107.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.459 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' O ' HG21 ' A' ' 20' ' ' ILE . . . 46.76 -128.39 11.2 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.024 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 t -154.22 26.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.75 HD12 HG12 ' A' ' 26' ' ' ILE . 1.4 pp -109.03 139.05 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.75 HG12 HD12 ' A' ' 25' ' ' ILE . 22.4 mm 69.96 -65.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 167.53 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.83 -22.89 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 48.47 27.35 1.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -35.01 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -160.49 158.99 30.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 1.3 m -140.17 -45.05 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.078 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -98.41 36.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 38.64 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.14 129.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -61.29 -70.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.626 0.251 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.66 HG23 HD22 ' A' ' 9' ' ' LEU . 28.5 mt 46.32 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.375 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -116.55 48.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.089 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.416 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD22 HG23 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -75.77 7.77 3.59 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.028 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.506 ' HG2' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' HG2' ' A' ' 10' ' ' DBB . 58.3 mttt -54.45 -16.34 2.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.652 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.76 27.7 0.37 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.501 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 81.3 m -109.08 82.6 1.94 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 74.4 Cg_exo -49.29 -26.72 11.91 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.339 2.026 . . . . 0.0 112.274 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -168.19 132.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.42 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.39 -175.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 16' ' ' VAL . 3.6 pt -113.31 -168.2 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -57.81 -24.34 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -59.11 -23.9 62.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.264 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.719 HG22 ' HB2' ' A' ' 29' ' ' CYS . 1.1 mt -149.24 176.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.496 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' ILE . 74.2 m -68.31 -79.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 21' ' ' CYS . . . 169.96 41.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.93 81.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 t -138.6 164.94 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.727 0.299 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 25' ' ' ILE . 17.8 mt -97.51 30.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.43 158.94 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 28' ' ' ALA . 89.3 m 64.17 162.47 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.738 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' ' 27' ' ' THR . . . -48.86 -27.47 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.815 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.719 ' HB2' HG22 ' A' ' 20' ' ' ILE . 16.9 p -70.97 64.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -110.14 -31.32 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -72.55 164.22 26.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.3 -51.02 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.135 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.06 168.28 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.39 120.01 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.52 -134.78 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -74.63 -175.89 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 110.715 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.9 pp -81.14 112.9 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.252 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -135.26 31.44 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.416 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.717 ' O ' HD22 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -92.24 -1.03 57.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -179.081 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.525 ' HG2' ' H ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.525 ' H ' ' HG2' ' A' ' 10' ' ' DBB . 3.8 mtmt -62.32 -20.58 64.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.51 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.78 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.565 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -59.1 112.55 5.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.06 -22.22 30.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.323 2.015 . . . . 0.0 112.26 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 177.94 140.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.431 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 19' ' ' SER . 25.7 t -108.75 93.91 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.159 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 17' ' ' ILE . 20.8 mt -95.07 17.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -114.26 -58.14 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.457 ' HB2' HG11 ' A' ' 16' ' ' VAL . 39.6 m -68.93 -95.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.647 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 21' ' ' CYS . 33.4 mm -121.72 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.1 OUTLIER 49.9 38.66 16.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.339 -179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.25 93.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.724 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.68 51.09 57.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.58 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 171.56 16.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.733 HG22 HG13 ' A' ' 26' ' ' ILE . 20.0 mm -101.03 -66.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.733 HG13 HG22 ' A' ' 25' ' ' ILE . 31.4 mt -148.99 101.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 p -155.4 -58.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.93 -20.33 12.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.564 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 19.8 p -85.92 56.5 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 111.038 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -80.39 -30.49 37.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -69.87 112.62 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.9 m -80.42 -55.53 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.075 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.44 91.24 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -136.76 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 94.21 0.32 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -62.74 143.25 57.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.808 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.63 100.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -132.56 106.99 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' DBB . . . . . 0.531 ' CG ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -88.26 -26.6 22.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' DBB . . . . . 0.569 ' HG3' ' O ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -23.1 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.217 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HB2' HD13 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -99.68 20.57 13.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.644 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 0.0 OUTLIER -148.18 90.85 4.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.263 . . . . 0.0 111.064 179.657 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.66 41.17 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.001 2.468 . . . . 0.0 112.19 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 1.5 t-20 174.04 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 18' ' ' SER . 21.5 t 77.89 134.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.892 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 17' ' ' ILE . 19.5 mt -90.65 17.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.563 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.687 ' H ' HG12 ' A' ' 16' ' ' VAL . 3.8 p -147.1 162.16 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.8 p -58.03 -74.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.77 HG13 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -87.33 -175.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.498 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.664 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.0 m -131.92 -45.94 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.502 . . . . 0.0 110.683 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' HD13 ' A' ' 20' ' ' ILE . . . -141.67 -175.9 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.209 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.03 -128.4 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.639 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p 61.25 153.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mt -109.91 -32.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.42 -54.98 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.96 162.99 17.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -100.81 -69.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 21' ' ' CYS . 2.4 t -145.91 95.44 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.25 -30.4 7.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.725 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -139.45 -177.15 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.744 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.2 m -118.53 -36.88 3.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.048 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.4 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.837 0.351 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 6' ' ' ILE . 11.9 mtmm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 111.757 0.281 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.27 0.1 22.95 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.93 88.97 28.02 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.677 0.275 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.56 -11.99 26.66 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.723 2.282 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.15 -83.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.04 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.648 ' C ' HD13 ' A' ' 17' ' ' ILE . 22.0 t 59.79 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -123.4 -166.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.45 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.4 m -67.42 98.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 20' ' ' ILE . 9.5 p -167.93 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.559 HD12 ' OG ' ' A' ' 19' ' ' SER . 3.1 mp -135.04 -69.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.434 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.831 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 20' ' ' ILE . 29.8 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.025 0.44 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -89.92 12.25 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.497 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -160.67 119.87 2.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.784 0.326 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 7' ' ' LYS . 1.5 mp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.775 0.321 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.157 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.551 0.215 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.08 -19.63 61.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.73 0.3 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.8 m -70.24 146.82 94.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.58 -60.95 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.557 2.172 . . . . 0.0 112.345 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.41 ' C ' HG12 ' A' ' 16' ' ' VAL . 23.4 t-20 -166.89 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.576 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.2 p 44.1 58.56 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.575 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 18' ' ' SER . 12.2 mm 68.74 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 17' ' ' ILE . 83.5 p -102.06 41.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 p -175.99 86.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.723 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 21' ' ' CYS . 5.8 mt 63.16 154.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 98.5 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.776 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.925 0.393 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -95.65 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -178.27 160.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 56.8 m . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.593 0.235 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.24 27.45 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.532 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -118.25 79.71 15.07 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.116 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -81.5 -16.4 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.936 2.424 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.18 -67.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.98 112.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tt -148.27 140.19 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.115 0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t 167.59 -47.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.1 p -175.84 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 21' ' ' CYS . 14.8 mm -132.78 163.46 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.82 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.548 ' N ' HG22 ' A' ' 20' ' ' ILE . 7.2 m . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.931 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -100.5 -60.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -178.72 132.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 82.2 m . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.513 0.197 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 27.12 1.17 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.673 0.273 . . . . 0.0 111.239 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 m -118.08 82.15 17.35 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.543 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.01 34.88 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.984 2.456 . . . . 0.0 112.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -178.29 -87.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.044 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t 47.01 84.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.754 0.311 . . . . 0.0 111.398 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.51 133.26 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.33 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.595 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -177.31 84.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 20' ' ' ILE . 37.6 mt 58.69 44.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 110.967 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 61.3 m . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.314 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.995 0.426 . . . . 0.0 111.425 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.02 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.7 t30 58.19 -170.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.763 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.758 0.314 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt . . . . . 0 CA--C 1.529 0.167 0 CA-C-O 120.558 0.218 . . . . 0.0 111.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.59 27.53 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.552 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.5 m -117.96 77.85 12.44 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.599 0.238 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -94.58 19.46 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.126 2.55 . . . . 0.0 112.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -137.47 82.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 16' ' ' VAL . 11.4 p -179.68 107.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.4 tt -162.36 156.19 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.476 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 1.7 m 83.07 -48.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.355 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 25.64 3.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mt 65.14 130.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 12.9 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.25 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 p . . . . . 0 N--CA 1.449 -0.49 0 CA-C-O 120.879 0.371 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -43.86 95.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 55.95 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.693 0.282 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.204 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.129 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.88 27.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.56 0.219 . . . . 0.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 76.7 m -135.27 63.52 56.23 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.241 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 13' ' ' CYS . 37.0 Cg_exo -59.86 -22.87 70.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.425 2.083 . . . . 0.0 112.165 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.801 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.9 t30 -113.32 -24.66 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 15' ' ' ASN . 5.8 p 56.55 147.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 O-C-N 123.478 0.486 . . . . 0.0 111.874 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -126.91 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.497 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 63.11 -169.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.02 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -29.33 68.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.0 -164.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 19.8 p . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 121.21 0.529 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 -27.88 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -108.54 142.36 39.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.973 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.714 0.292 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -87.5 27.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.7 m -113.74 90.17 17.78 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.085 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 37.3 Cg_endo -91.62 -4.46 4.08 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.146 2.564 . . . . 0.0 112.711 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -90.61 51.36 1.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.855 0.359 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 16' ' ' VAL . 7.8 p -158.43 77.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tt -147.06 142.45 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t 171.14 -78.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.622 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -127.49 -67.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -151.59 152.84 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.777 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 12.24 10.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -73.71 161.59 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.38 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 mttt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.673 0.273 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.44 17.11 11.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.449 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.3 m -55.77 109.21 1.49 Allowed Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.813 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.63 -16.06 50.26 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.15 1.9 . . . . 0.0 112.405 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -178.44 138.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.583 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.1 p -140.98 56.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.98 143.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -42.02 14.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.782 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.24 69.15 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.182 0.515 . . . . 0.0 110.514 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 mt 66.64 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.2 m . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.387 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.923 0.392 . . . . 0.0 111.168 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -32.33 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.697 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.42 176.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.227 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.842 0.353 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.733 0.301 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -96.04 26.91 3.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.8 m -58.03 141.85 80.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 4.3 Cg_exo -80.51 47.95 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.943 2.429 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.76 136.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 111.12 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 29' ' ' CYS . 4.9 p 179.02 79.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.833 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.4 mt -139.06 14.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.468 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -102.35 -76.55 0.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.85 -26.08 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 63.39 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.076 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.628 0.251 . . . . 0.0 111.242 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CG ' HG23 ' A' ' 17' ' ' ILE . 7.8 tttm -78.35 -29.54 47.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -146.26 175.46 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' HG ' ' HG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.9 0.381 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.925 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mtpt . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.626 0.251 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.633 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 95.0 m -112.58 95.42 32.21 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.657 0.265 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.7 -20.72 34.73 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 0.0 112.828 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.42 -83.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.9 p 42.94 58.84 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.867 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tt -130.69 132.9 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 111.07 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.68 -75.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -138.49 80.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.338 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 70.77 158.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.49 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.121 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 28.5 p . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.879 0.371 . . . . 0.0 111.933 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -75.25 -31.22 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -156.76 147.43 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.598 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.599 0.238 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -84.89 10.58 11.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.589 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 m -46.76 100.68 0.24 Allowed Pre-proline 0 CA--C 1.53 0.21 0 CA-C-O 120.575 0.226 . . . . 0.0 111.201 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.735 2.29 . . . . 0.0 112.563 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.26 -49.75 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.271 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 ' ND2' ' A' ' 31' ' ' ASN . 4.6 m -102.01 123.18 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.375 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -131.63 -161.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.541 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER 75.48 -172.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.865 0.365 . . . . 0.0 111.087 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -62.69 -33.04 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -145.48 -171.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.517 ' H ' HG22 ' A' ' 20' ' ' ILE . 35.6 m . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 121.02 0.438 . . . . 0.0 111.063 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -47.99 -32.2 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.706 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.495 ' ND2' HG11 ' A' ' 16' ' ' VAL . 2.0 m120 -77.73 165.26 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.341 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.889 0.375 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.754 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.23 27.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 0.0 111.522 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.92 106.42 6.27 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.29 -12.88 29.24 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.719 2.28 . . . . 0.0 113.015 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -84.22 -144.72 0.08 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 21' ' ' CYS . 28.2 t 50.85 73.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.208 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.18 128.02 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 63.05 22.93 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -134.95 23.64 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.986 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 19' ' ' SER . 0.4 OUTLIER 63.04 131.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.969 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 11.4 t . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.237 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 19.9 p . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.07 -27.28 69.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.77 120.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.718 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttt . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.568 0.223 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.82 27.12 1.62 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.654 0.264 . . . . 0.0 111.205 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 m -102.22 103.91 33.53 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.779 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -77.01 55.72 5.11 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.835 2.357 . . . . 0.0 112.283 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -147.8 24.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.208 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -154.97 99.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -126.92 126.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.439 . . . . 0.0 111.007 179.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 7.3 t 160.21 176.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 18' ' ' SER . 53.7 p -50.53 -70.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.479 . . . . 0.0 110.623 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.73 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -77.2 -166.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.201 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.73 ' N ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.775 0.321 . . . . 0.0 111.196 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.715 0.293 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -25.97 44.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.407 ' HB3' ' CB ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -69.75 175.42 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.177 0.513 . . . . 0.0 111.063 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.899 -179.894 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 pt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.847 0.356 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 120.547 0.213 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -107.25 27.1 9.39 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.8 m -131.94 93.68 26.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.987 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.65 -20.84 36.26 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.473 2.115 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.29 111.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -115.06 -164.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.419 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.9 p -78.45 -3.03 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.518 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.1 17.63 12.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 21' ' ' CYS . 12.3 mm 56.97 158.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.35 0.595 . . . . 0.0 111.626 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 16.9 p . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.403 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 28.8 p . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 121.019 0.438 . . . . 0.0 111.899 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -110.1 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -151.81 112.53 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.766 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.717 0.294 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.733 0.301 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.25 27.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.203 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.0 m -111.77 87.58 8.54 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.147 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -74.41 -6.94 19.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.81 2.34 . . . . 0.0 112.315 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -91.74 -141.97 0.19 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 21' ' ' CYS . 17.0 t 65.93 34.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.8 mt -89.51 10.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.511 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 p -79.24 -169.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -35.59 76.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.544 HG22 ' N ' ' A' ' 21' ' ' CYS . 52.8 mt -154.77 161.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HA ' HG13 ' A' ' 16' ' ' VAL . 1.3 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.407 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.985 0.421 . . . . 0.0 110.343 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -25.94 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.354 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.5 179.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.692 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.795 0.331 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.494 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.983 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -86.09 27.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.691 0.282 . . . . 0.0 111.348 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.3 m -117.68 107.79 44.0 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.85 53.57 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.676 2.251 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.55 -148.58 0.21 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.6 t 47.97 35.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 17' ' ' ILE . 20.4 mt -93.65 17.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.367 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 p -120.84 -68.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.09 112.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 66.34 147.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 3.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 38.8 t . . . . . 0 CA--C 1.526 0.038 0 CA-C-O 120.907 0.384 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -66.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -144.25 162.32 36.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.864 0.364 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 CA--C 1.529 0.144 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.13 27.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.668 0.27 . . . . 0.0 111.525 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.5 69.81 82.25 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.966 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.84 -17.26 46.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.671 2.247 . . . . 0.0 112.53 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -179.63 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 17' ' ' ILE . 16.2 t 71.18 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -120.18 -160.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m 64.9 -82.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.966 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 p -179.22 77.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 59.62 150.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.172 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 15.8 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.813 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.746 0.308 . . . . 0.0 111.382 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -35.01 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -160.49 158.99 30.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.793 0.33 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.7 pttt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.089 -179.816 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 58.3 mttt . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.619 0.247 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.76 27.7 0.37 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.501 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 81.3 m -109.08 82.6 1.94 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.031 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 74.4 Cg_exo -49.29 -26.72 11.91 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.339 2.026 . . . . 0.0 112.274 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -168.19 132.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.42 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.39 -175.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 16' ' ' VAL . 3.6 pt -113.31 -168.2 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -57.81 -24.34 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -59.11 -23.9 62.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.264 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.719 HG22 ' HB2' ' A' ' 29' ' ' CYS . 1.1 mt -149.24 176.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.496 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' ILE . 74.2 m . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.719 ' HB2' HG22 ' A' ' 20' ' ' ILE . 16.9 p . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 120.914 0.388 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -110.14 -31.32 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -72.55 164.22 26.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.9 pp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.811 0.339 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 pttp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.805 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.594 0.235 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.78 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.565 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -59.1 112.55 5.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.06 -22.22 30.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.323 2.015 . . . . 0.0 112.26 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 177.94 140.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.431 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 19' ' ' SER . 25.7 t -108.75 93.91 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.159 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 17' ' ' ILE . 20.8 mt -95.07 17.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -114.26 -58.14 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.457 ' HB2' HG11 ' A' ' 16' ' ' VAL . 39.6 m -68.93 -95.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.647 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 21' ' ' CYS . 33.4 mm -121.72 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.339 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.564 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 19.8 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.238 0.542 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -80.39 -30.49 37.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -69.87 112.62 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.9 m . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.849 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 pttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.748 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.708 0.289 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.68 20.57 13.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.644 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.18 90.85 4.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.263 . . . . 0.0 111.064 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.66 41.17 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.001 2.468 . . . . 0.0 112.19 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 1.5 t-20 174.04 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 18' ' ' SER . 21.5 t 77.89 134.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.892 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.601 ' O ' HG22 ' A' ' 17' ' ' ILE . 19.5 mt -90.65 17.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.563 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.687 ' H ' HG12 ' A' ' 16' ' ' VAL . 3.8 p -147.1 162.16 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.8 p -58.03 -74.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.664 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -87.33 -175.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.498 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.664 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.0 m . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.502 . . . . 0.0 110.683 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 21' ' ' CYS . 2.4 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 121.078 0.466 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.25 -30.4 7.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.725 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -139.45 -177.15 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.744 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.048 -179.703 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.848 0.356 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.26 130.58 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -89.28 139.06 30.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.34 111.02 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.422 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -145.36 132.98 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 7' ' ' LYS . 2.4 mt -79.52 157.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 6' ' ' ILE . 11.9 mtmm -109.39 -48.4 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.656 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.77 HD13 ' HB2' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -72.48 -33.19 66.8 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.656 ' HG2' ' HG2' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -78.46 -8.0 58.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.757 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.77 ' HB2' HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -107.27 0.1 22.95 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.93 88.97 28.02 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-O 120.677 0.275 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.56 -11.99 26.66 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.723 2.282 . . . . 0.0 112.538 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -88.15 -83.14 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.04 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.648 ' C ' HD13 ' A' ' 17' ' ' ILE . 22.0 t 59.79 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 16' ' ' VAL . 0.2 OUTLIER -123.4 -166.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.45 ' H ' HG22 ' A' ' 17' ' ' ILE . 1.4 m -67.42 98.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 20' ' ' ILE . 9.5 p -167.93 -41.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.088 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.559 HD12 ' OG ' ' A' ' 19' ' ' SER . 3.1 mp -135.04 -69.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.227 0.537 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.434 ' CA ' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -93.57 -31.49 14.5 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.838 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.43 42.11 21.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.81 87.33 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.568 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -163.81 167.63 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.721 0.296 . . . . 0.0 110.884 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.18 68.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.457 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 26' ' ' ILE . 4.7 tp 42.85 96.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.884 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.9 p -116.34 -72.6 0.68 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.799 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.86 -13.13 12.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.52 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.54 ' HA ' HG22 ' A' ' 20' ' ' ILE . 29.8 p -69.47 67.91 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.025 0.44 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -89.92 12.25 17.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.497 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -160.67 119.87 2.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.784 0.326 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -96.02 -57.16 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.096 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.863 0.363 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -79.21 137.22 37.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -126.4 125.18 41.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.45 -56.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 42.5 p90 -125.57 -176.09 3.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.786 0.327 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.925 HG21 HD12 ' A' ' 9' ' ' LEU . 1.5 mp -60.85 160.79 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.078 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.25 -35.13 7.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.157 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.453 ' H ' ' HG2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -69.93 -18.3 63.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.768 -179.394 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.943 ' N ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -65.55 -20.31 66.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.352 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.08 -19.63 61.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.73 0.3 . . . . 0.0 111.027 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.8 m -70.24 146.82 94.98 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -55.58 -60.95 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.557 2.172 . . . . 0.0 112.345 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.41 ' C ' HG12 ' A' ' 16' ' ' VAL . 23.4 t-20 -166.89 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.088 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.576 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.2 p 44.1 58.56 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.575 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 18' ' ' SER . 12.2 mm 68.74 156.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.506 ' N ' HG22 ' A' ' 17' ' ' ILE . 83.5 p -102.06 41.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.9 p -175.99 86.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.723 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.436 HG23 ' O ' ' A' ' 28' ' ' ALA . 5.8 mt 63.16 154.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 20' ' ' ILE . 98.5 m -65.61 -54.37 28.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.776 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -178.55 109.35 0.05 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.09 46.21 2.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.584 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.15 30.81 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 26' ' ' ILE . 41.7 mt -136.38 -71.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.207 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -165.85 -55.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.12 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.568 HG23 HD12 ' A' ' 26' ' ' ILE . 1.1 p -71.97 148.59 45.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.913 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 20' ' ' ILE . . . -89.06 -44.62 10.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.2 t 60.16 118.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.069 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -95.65 -66.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.734 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -178.27 160.87 1.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.557 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 56.8 m -128.48 -63.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.79 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.1 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.793 0.33 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.62 99.1 9.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.8 ttm-85 -156.04 131.75 9.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.63 -113.47 1.42 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.55 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -149.86 -170.56 3.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 0.0 110.971 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tp -140.19 142.38 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.847 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 128.34 54.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.144 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.469 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.532 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.2 pt? -71.41 -27.05 63.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.736 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.572 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -7.64 52.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.38 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -87.24 27.45 1.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.532 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.47 ' SG ' HD23 ' A' ' 9' ' ' LEU . 84.0 m -118.25 79.71 15.07 Favored Pre-proline 0 CA--C 1.529 0.162 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.116 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -81.5 -16.4 9.34 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.936 2.424 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -69.18 -67.35 0.48 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.98 112.24 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.266 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.3 tt -148.27 140.19 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.115 0.483 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t 167.59 -47.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.435 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.1 p -175.84 -45.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 21' ' ' CYS . 14.8 mm -132.78 163.46 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.494 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.82 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.548 ' N ' HG22 ' A' ' 20' ' ' ILE . 7.2 m -117.01 -31.33 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.931 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.44 160.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.215 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.08 -122.24 2.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.523 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.7 m -143.3 17.19 1.89 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.563 0.22 . . . . 0.0 111.238 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.743 ' O ' HD13 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -164.78 -52.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.743 HD13 ' O ' ' A' ' 25' ' ' ILE . 24.1 mm -141.86 147.49 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.671 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.11 119.67 5.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.16 23.4 10.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.217 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 15.6 t -146.05 117.35 7.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -100.5 -60.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -178.72 132.64 0.13 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.572 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 82.2 m -117.86 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.056 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.26 -45.12 8.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.73 101.7 13.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.09 93.81 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -100.34 -156.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.507 0.194 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt 67.02 78.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 142.54 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.778 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.572 ' HG2' ' SG ' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 9' ' ' LEU . 2.4 tt -66.36 -39.34 89.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.237 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.508 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -67.31 -9.56 42.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.66 27.12 1.17 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.673 0.273 . . . . 0.0 111.239 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 48.8 m -118.08 82.15 17.35 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -92.01 34.88 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.984 2.456 . . . . 0.0 112.846 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -178.29 -87.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.044 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.549 HG21 ' HB2' ' A' ' 8' ' ' DBB . 21.6 t 47.01 84.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.754 0.311 . . . . 0.0 111.398 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mp -134.51 133.26 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.33 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.595 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 p -177.31 84.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 20' ' ' ILE . 37.6 mt 58.69 44.03 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 110.967 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 61.3 m 53.71 19.99 2.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.314 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 57.18 162.03 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.0 0.429 . . . . 0.0 111.301 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.27 -115.6 4.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.669 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -76.06 157.61 32.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.834 0.349 . . . . 0.0 111.066 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.622 ' O ' HD12 ' A' ' 25' ' ' ILE . 2.4 pp -125.17 120.21 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -138.95 -66.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.7 -68.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.61 23.54 10.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 58.96 138.86 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.425 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -30.02 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.014 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.7 t30 58.19 -170.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.572 ' SG ' ' HG2' ' A' ' 8' ' ' DBB . 1.8 m -119.22 -42.19 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.763 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.179 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -94.75 -68.66 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -80.9 110.85 16.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.44 58.64 3.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.542 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -113.29 131.94 55.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.073 HG22 HD12 ' A' ' 9' ' ' LEU . 4.8 mt -101.1 106.74 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.52 138.69 29.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.43 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.073 HD12 HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -69.47 -10.71 59.23 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.601 ' H ' HD22 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -71.96 -7.78 50.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.59 27.53 0.72 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.552 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 72.5 m -117.96 77.85 12.44 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.599 0.238 . . . . 0.0 111.034 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -94.58 19.46 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.126 2.55 . . . . 0.0 112.679 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -137.47 82.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.802 0.334 . . . . 0.0 111.197 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 16' ' ' VAL . 11.4 p -179.68 107.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.045 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 18' ' ' SER . 6.4 tt -162.36 156.19 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.476 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 1.7 m 83.07 -48.18 0.15 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.355 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.77 25.64 3.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.313 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.855 HG22 ' H ' ' A' ' 22' ' ' ALA . 32.8 mt 65.14 130.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.87 0.367 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 12.9 m -56.77 -22.25 34.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.25 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.855 ' H ' HG22 ' A' ' 20' ' ' ILE . . . 74.76 137.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.973 0.416 . . . . 0.0 111.293 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.94 -59.95 0.24 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.372 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.8 p -156.57 -179.45 8.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 0.0 110.775 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.81 64.82 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.03 0.443 . . . . 0.0 111.027 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 tt -102.53 159.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.2 p -52.12 -63.08 1.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.17 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' ' 20' ' ' ILE . . . -102.86 -69.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 2.7 p -175.2 145.1 0.76 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -43.86 95.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 55.95 171.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 1.0 OUTLIER -113.67 29.32 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.158 -0.925 . . . . 0.0 111.1 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.916 0.389 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.4 t70 60.27 107.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt85 -137.11 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.54 -81.55 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.563 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -177.45 121.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.338 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.1 mt -82.86 125.54 40.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.75 40.13 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.204 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.423 ' CG ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -78.11 -18.51 55.57 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.423 ' HG2' ' CG ' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -20.1 5.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.792 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.88 27.12 1.89 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.56 0.219 . . . . 0.0 111.535 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 14' ' ' PRO . 76.7 m -135.27 63.52 56.23 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.697 0.284 . . . . 0.0 111.241 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 13' ' ' CYS . 37.0 Cg_exo -59.86 -22.87 70.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.425 2.083 . . . . 0.0 112.165 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.801 ' O ' HG12 ' A' ' 16' ' ' VAL . 1.9 t30 -113.32 -24.66 9.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.801 HG12 ' O ' ' A' ' 15' ' ' ASN . 5.8 p 56.55 147.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.129 0 O-C-N 123.478 0.486 . . . . 0.0 111.874 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG22 ' H ' ' A' ' 18' ' ' SER . 0.1 OUTLIER -126.91 -164.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.497 -179.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 63.11 -169.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.02 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -29.33 68.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -150.0 -164.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.586 ' HB3' HG21 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -105.03 -0.39 26.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.058 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' A' ' 25' ' ' ILE . . . -110.21 -166.24 1.07 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.729 0.299 . . . . 0.0 111.099 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.75 -87.6 1.94 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -125.99 52.83 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.939 0.399 . . . . 0.0 110.96 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' HB1' ' A' ' 22' ' ' ALA . 4.8 pt -126.2 -44.42 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 20' ' ' ILE . 3.2 mp 54.14 93.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.388 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 86.8 m -164.35 -83.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.81 -8.56 9.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.637 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.522 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 19.8 p 41.31 55.93 3.24 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.21 0.529 . . . . 0.0 111.78 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.68 -27.88 15.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.149 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -108.54 142.36 39.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.973 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.9 m -115.24 -35.04 4.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.083 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.34 141.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.34 164.79 22.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.72 133.1 22.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -148.89 171.99 15.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt -64.44 -16.79 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.477 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 109.83 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -76.34 -5.54 47.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.562 ' H ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -70.41 -7.97 47.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.62 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -87.5 27.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.646 0.26 . . . . 0.0 111.148 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 72.7 m -113.74 90.17 17.78 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.085 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 37.3 Cg_endo -91.62 -4.46 4.08 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.146 2.564 . . . . 0.0 112.711 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -90.61 51.36 1.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.855 0.359 . . . . 0.0 110.948 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 16' ' ' VAL . 7.8 p -158.43 77.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.9 tt -147.06 142.45 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t 171.14 -78.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.622 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -127.49 -67.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.4 mt -151.59 152.84 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.644 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.07 72.18 1.07 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.56 116.84 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.991 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 156.44 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.485 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.0 m 58.86 78.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.784 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.12 85.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.429 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.435 HG23 ' OG1' ' A' ' 27' ' ' THR . 1.9 tt -81.18 -38.7 16.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.748 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.435 ' OG1' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -133.73 -59.19 0.86 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.346 179.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.82 -55.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.585 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 25.9 p -164.51 -158.47 0.42 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.969 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.4 12.24 10.61 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -73.71 161.59 30.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.342 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' CB ' ' C ' ' A' ' 10' ' ' DBB . 7.3 t -77.64 -58.8 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.228 -0.892 . . . . 0.0 111.041 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.801 0.334 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -114.58 57.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 60.7 103.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.44 130.31 3.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -130.06 -47.62 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.748 HD13 HD22 ' A' ' 9' ' ' LEU . 4.1 tt -44.42 -20.44 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER 83.11 35.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.38 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.449 ' HG1' ' HB3' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD11 ' HB2' ' A' ' 12' ' ' ASP . 1.1 pt? -58.2 -29.56 65.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 111.36 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.513 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 23.8 mttt -66.0 -18.29 65.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.25 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.758 ' HB2' HD11 ' A' ' 9' ' ' LEU . 6.0 m-20 -93.44 17.11 11.99 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.449 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HB3' ' HG1' ' A' ' 8' ' ' DBB . 13.3 m -55.77 109.21 1.49 Allowed Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.813 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.63 -16.06 50.26 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.15 1.9 . . . . 0.0 112.405 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -178.44 138.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.583 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.1 p -140.98 56.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.07 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt 62.98 143.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.77 -42.02 14.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.782 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.24 69.15 2.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.182 0.515 . . . . 0.0 110.514 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 mt 66.64 157.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 3.2 m -81.62 4.16 22.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.387 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' CYS . . . 172.4 -172.97 0.04 OUTLIER 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.797 0.332 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -104.18 110.75 3.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.3 p -148.22 172.97 13.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.64 -54.48 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 tt -85.63 135.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 m -77.09 62.53 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.95 -33.86 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.461 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 61.03 141.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.168 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -32.33 71.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.697 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.42 176.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.227 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.513 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -81.14 -38.77 26.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.459 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.039 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.78 0.324 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -96.95 -170.62 2.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 108.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.83 -47.52 0.31 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -89.74 124.24 34.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.718 HD12 HD11 ' A' ' 9' ' ' LEU . 13.6 pt -117.26 152.52 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.35 95.14 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.507 ' HG1' ' HB3' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.718 HD11 HD12 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -60.4 -42.37 95.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.464 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.56 -22.47 63.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.064 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.545 ' OD2' HD23 ' A' ' 9' ' ' LEU . 5.7 p-10 -96.04 26.91 3.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' HB3' ' HG1' ' A' ' 8' ' ' DBB . 1.8 m -58.03 141.85 80.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' CYS . 4.3 Cg_exo -80.51 47.95 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.943 2.429 . . . . 0.0 112.768 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.76 136.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.003 0.43 . . . . 0.0 111.12 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.547 HG13 ' O ' ' A' ' 29' ' ' CYS . 4.9 p 179.02 79.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.833 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.4 mt -139.06 14.26 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.468 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.1 p -102.35 -76.55 0.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.85 -26.08 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.728 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 63.39 139.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.5 m -56.03 -45.22 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.076 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.82 -166.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.99 43.79 1.63 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.529 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.618 ' O ' HD13 ' A' ' 25' ' ' ILE . 1.2 m 56.92 90.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 110.924 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.618 HD13 ' O ' ' A' ' 24' ' ' THR . 30.1 mm -133.52 -66.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.108 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -147.1 -75.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.13 96.3 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.047 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.5 -40.54 2.56 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.88 0.372 . . . . 0.0 111.537 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.547 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -129.25 14.72 6.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.242 179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CG ' HG23 ' A' ' 17' ' ' ILE . 7.8 tttm -78.35 -29.54 47.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.833 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -146.26 175.46 10.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 0.1 OUTLIER -140.04 -62.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.148 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.827 0.346 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.59 -174.14 3.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.08 169.75 17.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.94 -95.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.445 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.33 -177.69 5.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.565 HG22 ' H ' ' A' ' 8' ' ' DBB . 3.8 mp -141.15 134.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -98.36 34.09 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.565 ' H ' HG22 ' A' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' A' ' 12' ' ' ASP . 0.5 OUTLIER -55.66 -27.48 50.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.481 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HD2' ' HB2' ' A' ' 33' ' ' ALA . 10.4 mtpt -78.14 -7.92 57.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.494 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.797 ' HB2' HD11 ' A' ' 9' ' ' LEU . 1.2 m-20 -90.43 27.2 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.633 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 95.0 m -112.58 95.42 32.21 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.657 0.265 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.7 -20.72 34.73 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.819 2.346 . . . . 0.0 112.828 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -111.42 -83.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.065 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.54 ' O ' HG22 ' A' ' 16' ' ' VAL . 7.9 p 42.94 58.84 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.867 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.2 tt -130.69 132.9 64.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.371 0.605 . . . . 0.0 111.07 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.68 -75.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 p -138.49 80.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.338 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER 70.77 158.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.49 -179.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -113.73 -23.97 9.41 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.121 -179.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -95.52 -172.79 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.04 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.35 52.6 0.71 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 m -150.98 160.61 43.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pt -103.91 28.53 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 26' ' ' ILE . 27.2 mt -149.2 44.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.084 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -159.23 166.84 30.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.19 23.48 10.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.004 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 28.5 p 39.62 71.48 0.17 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.933 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -75.25 -31.22 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.638 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -156.76 147.43 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.598 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.481 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 0.5 OUTLIER -76.08 -49.19 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.871 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 11' ' ' LYS . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.232 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.783 0.325 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -130.94 -52.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.782 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.46 30.16 12.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.035 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.76 176.36 1.58 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -97.45 147.96 23.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 110.998 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.4 tt -133.62 140.65 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.058 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 107.0 9.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.417 ' HG1' ' HB3' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.657 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -92.11 30.44 1.43 Allowed 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.092 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.413 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.903 ' HA ' ' HB3' ' A' ' 33' ' ' ALA . 18.6 mttt -60.44 -17.39 44.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.468 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -84.89 10.58 11.27 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.589 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.417 ' HB3' ' HG1' ' A' ' 8' ' ' DBB . 12.6 m -46.76 100.68 0.24 Allowed Pre-proline 0 CA--C 1.53 0.21 0 CA-C-O 120.575 0.226 . . . . 0.0 111.201 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -72.27 -8.48 22.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.735 2.29 . . . . 0.0 112.563 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -91.26 -49.75 6.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.271 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 ' ND2' ' A' ' 31' ' ' ASN . 4.6 m -102.01 123.18 55.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.925 0.393 . . . . 0.0 111.375 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 18' ' ' SER . 0.4 OUTLIER -131.63 -161.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.541 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 17' ' ' ILE . 0.2 OUTLIER 75.48 -172.42 0.1 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.865 0.365 . . . . 0.0 111.087 179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -62.69 -33.04 74.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.217 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 21' ' ' CYS . 0.5 OUTLIER -145.48 -171.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.031 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.517 ' H ' HG22 ' A' ' 20' ' ' ILE . 35.6 m -115.95 -40.11 3.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 179.45 -165.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.17 119.23 17.1 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.418 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 30' ' ' LYS . 0.3 OUTLIER -161.4 -160.53 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.622 0.249 . . . . 0.0 110.917 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG22 HG12 ' A' ' 26' ' ' ILE . 34.6 mt -53.92 -64.67 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -150.23 -82.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.369 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.482 ' HA ' HG23 ' A' ' 20' ' ' ILE . 12.4 m -118.94 -21.97 7.5 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.651 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -38.3 51.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 0.0 111.478 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.5 OUTLIER 61.24 141.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.063 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' N ' HG21 ' A' ' 24' ' ' THR . 15.5 ttpt -47.99 -32.2 6.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.706 -179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.495 ' ND2' HG11 ' A' ' 16' ' ' VAL . 2.0 m120 -77.73 165.26 24.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 0.0 OUTLIER -45.63 -51.27 12.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.341 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.903 ' HB3' ' HA ' ' A' ' 11' ' ' LYS . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.123 -0.942 . . . . 0.0 110.998 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -109.63 137.53 47.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -60.23 110.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.69 136.04 2.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -151.63 168.89 23.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.772 0.32 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.9 tt -128.8 129.07 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.209 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -127.74 138.31 52.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.608 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.425 ' CG ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.625 HD21 ' CB ' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -94.28 -4.86 48.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.425 ' HG2' ' CG ' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -21.06 4.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.076 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.625 ' CB ' HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -89.23 27.08 1.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.635 0.255 . . . . 0.0 111.522 -179.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -140.92 106.42 6.27 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -62.29 -12.88 29.24 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.719 2.28 . . . . 0.0 113.015 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -84.22 -144.72 0.08 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 21' ' ' CYS . 28.2 t 50.85 73.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 0.0 111.208 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.18 128.02 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t 63.05 22.93 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -134.95 23.64 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.986 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.54 HG23 ' H ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER 63.04 131.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.969 -179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 11.4 t -78.23 -5.03 50.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.237 -179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' H ' HG23 ' A' ' 20' ' ' ILE . . . 75.93 95.96 0.07 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.856 0.36 . . . . 0.0 111.727 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.86 73.35 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 m 60.26 158.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.951 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 20' ' ' ILE . 14.0 mm -100.75 37.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.484 HG23 ' N ' ' A' ' 27' ' ' THR . 12.7 tt -80.68 -44.84 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.484 ' N ' HG23 ' A' ' 26' ' ' ILE . 94.5 m -150.17 -76.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.76 -69.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.848 0.356 . . . . 0.0 111.075 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 19.9 p -170.72 117.59 0.5 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.959 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -63.07 -27.28 69.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.77 120.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.51 -48.44 71.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.145 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.796 0.332 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -98.79 79.41 2.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -30.75 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.82 83.83 0.34 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.569 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -66.39 -25.54 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.06 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.8 mm 66.83 121.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -135.47 134.08 39.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.718 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.444 ' CG ' ' HB2' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD23 ' SG ' ' A' ' 13' ' ' CYS . 2.3 pt? -65.68 -26.7 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.514 ' C ' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -72.6 -7.78 51.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.468 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.82 27.12 1.62 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.654 0.264 . . . . 0.0 111.205 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.547 ' SG ' HD23 ' A' ' 9' ' ' LEU . 35.8 m -102.22 103.91 33.53 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.779 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -77.01 55.72 5.11 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.835 2.357 . . . . 0.0 112.283 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -147.8 24.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.208 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.3 t -154.97 99.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -126.92 126.95 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.023 0.439 . . . . 0.0 111.007 179.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 17' ' ' ILE . 7.3 t 160.21 176.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.16 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 18' ' ' SER . 53.7 p -50.53 -70.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.479 . . . . 0.0 110.623 179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.73 HG23 ' N ' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -77.2 -166.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.201 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.73 ' N ' HG23 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -123.26 -35.06 3.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.775 0.321 . . . . 0.0 111.196 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 31' ' ' ASN . . . -132.3 173.63 11.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.332 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.62 -42.22 10.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' HD13 ' A' ' 25' ' ' ILE . 76.6 p -60.26 163.15 5.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.758 0.313 . . . . 0.0 110.803 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 24' ' ' THR . 26.2 mm -129.62 127.79 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -143.12 -47.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.821 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 28' ' ' ALA . 8.1 t -168.13 -48.84 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.557 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 27' ' ' THR . . . -121.19 -69.06 0.86 Allowed 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.258 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 4.4 p 173.35 126.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.768 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -25.97 44.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.626 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -69.75 175.42 4.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.177 0.513 . . . . 0.0 111.063 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.514 ' HB3' ' C ' ' A' ' 10' ' ' DBB . 1.2 m -75.68 -48.38 22.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.899 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.996 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.81 86.59 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -147.42 162.18 39.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.29 -152.46 30.97 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.487 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -80.47 173.08 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 pt -72.78 120.34 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.96 73.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.601 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.541 ' H ' HD12 ' A' ' 9' ' ' LEU . 2.0 mp -71.28 -37.33 71.87 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.644 ' HG3' ' O ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -78.62 -13.71 59.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.559 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' HB3' HD13 ' A' ' 9' ' ' LEU . 4.9 t70 -107.25 27.1 9.39 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.8 m -131.94 93.68 26.57 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.685 0.279 . . . . 0.0 110.987 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.65 -20.84 36.26 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.473 2.115 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -61.17 -35.81 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.705 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 t -125.29 111.21 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -115.06 -164.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.758 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.419 ' H ' HG22 ' A' ' 17' ' ' ILE . 23.9 p -78.45 -3.03 41.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.518 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.1 17.63 12.15 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.192 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 21' ' ' CYS . 12.3 mm 56.97 158.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-O 121.35 0.595 . . . . 0.0 111.626 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 16.9 p -84.93 -42.46 14.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.403 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 21' ' ' CYS . . . 70.01 45.91 0.68 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.578 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.39 97.5 0.01 OUTLIER Glycine 0 CA--C 1.517 0.21 0 C-N-CA 121.177 -0.535 . . . . 0.0 113.344 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 t -134.29 101.09 4.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.758 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 26' ' ' ILE . 20.0 mt 68.35 -70.52 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.12 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.9 OUTLIER -160.9 76.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.938 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.98 137.3 39.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.51 -37.97 9.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.78 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 28.8 p 39.35 61.13 1.4 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.899 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -110.1 -70.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -151.81 112.53 4.2 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.766 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -57.48 -30.63 65.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.187 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.782 0.325 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -102.87 60.53 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -92.46 49.78 1.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.96 37.5 0.87 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -165.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.862 0.363 . . . . 0.0 110.798 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 tp -164.4 128.38 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.84 121.43 38.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.2 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.404 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.627 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.13 -7.54 42.43 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.136 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.586 ' H ' HD13 ' A' ' 9' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -73.53 -7.67 52.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.403 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.521 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -87.25 27.72 1.03 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.203 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 84.0 m -111.77 87.58 8.54 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.147 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -74.41 -6.94 19.05 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.81 2.34 . . . . 0.0 112.315 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -91.74 -141.97 0.19 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.544 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG13 ' HA ' ' A' ' 21' ' ' CYS . 17.0 t 65.93 34.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 17' ' ' ILE . 21.8 mt -89.51 10.82 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.511 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 p -79.24 -169.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.738 0.304 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -35.59 76.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.551 HG22 HG21 ' A' ' 25' ' ' ILE . 52.8 mt -154.77 161.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.571 ' HA ' HG13 ' A' ' 16' ' ' VAL . 1.3 m -38.09 -35.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.407 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 65.16 84.97 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' H ' HG23 ' A' ' 25' ' ' ILE . . . 143.85 99.64 0.3 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.476 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p 49.52 28.69 2.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.831 0.348 . . . . 0.0 111.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.551 HG21 HG22 ' A' ' 20' ' ' ILE . 0.2 OUTLIER -54.78 167.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.316 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 27' ' ' THR . 3.2 pt -108.96 -36.82 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.226 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 26' ' ' ILE . 4.0 t 176.74 -50.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' HG23 ' A' ' 27' ' ' THR . . . -120.95 5.74 10.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.812 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 61.92 101.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.985 0.421 . . . . 0.0 110.343 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.82 -25.94 66.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.354 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 63.5 179.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.848 0.356 . . . . 0.0 110.692 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.486 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 1.6 m -104.54 34.78 2.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.145 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.887 0.375 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -94.98 -34.64 12.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -94.32 -29.31 15.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.96 64.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.414 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t90 63.36 125.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.575 HD13 ' C ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -56.9 118.17 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.054 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -97.86 107.79 20.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.983 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.685 ' HG2' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.4 pt? -83.93 23.82 0.98 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.685 ' HG2' ' HG2' ' A' ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -9.15 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.058 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -86.09 27.06 0.94 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.691 0.282 . . . . 0.0 111.348 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 52.3 m -117.68 107.79 44.0 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.85 53.57 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.676 2.251 . . . . 0.0 112.49 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.55 -148.58 0.21 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.6 t 47.97 35.5 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 111.342 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.603 ' O ' HG22 ' A' ' 17' ' ' ILE . 20.4 mt -93.65 17.23 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.367 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.7 p -120.84 -68.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.09 112.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 66.34 147.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.048 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.717 ' CB ' HD12 ' A' ' 26' ' ' ILE . 3.5 m -74.64 68.78 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.94 69.81 0.73 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.175 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' O ' HG22 ' A' ' 24' ' ' THR . . . -136.43 66.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.44 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 23' ' ' GLY . 12.4 t 44.31 42.83 5.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.818 0.342 . . . . 0.0 111.42 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.845 HD12 HG13 ' A' ' 26' ' ' ILE . 0.5 OUTLIER -142.37 -52.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.209 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.845 HG13 HD12 ' A' ' 25' ' ' ILE . 39.1 mt -116.36 158.53 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.052 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.484 ' N ' HG22 ' A' ' 26' ' ' ILE . 1.4 p -62.77 -80.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.035 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.73 -32.85 3.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.453 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 21' ' ' CYS . 38.8 t 62.66 112.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.736 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.41 -66.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -144.25 162.32 36.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' HB2' ' HG1' ' A' ' 10' ' ' DBB . 1.9 t -96.4 -45.1 6.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.129 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.814 0.34 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.9 158.6 27.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.016 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -136.24 151.65 49.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.1 -35.37 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -98.79 172.77 7.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.339 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.419 HG22 ' HB3' ' A' ' 9' ' ' LEU . 3.4 mp -97.57 81.15 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -74.46 126.18 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.6 HD21 ' CB ' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -80.34 -31.66 37.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.638 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.496 ' HG2' ' HB3' ' A' ' 32' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -58.9 -16.19 16.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.851 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.6 ' CB ' HD21 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -88.13 27.27 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.668 0.27 . . . . 0.0 111.525 -179.736 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 58.5 m -130.5 69.81 82.25 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.966 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -67.84 -17.26 46.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.671 2.247 . . . . 0.0 112.53 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -179.63 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.011 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 17' ' ' ILE . 16.2 t 71.18 159.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -120.18 -160.39 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 -179.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.9 m 64.9 -82.66 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.966 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 p -179.22 77.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.989 0.423 . . . . 0.0 110.942 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.549 HG23 ' H ' ' A' ' 22' ' ' ALA . 0.1 OUTLIER 59.62 150.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.172 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 29' ' ' CYS . 15.8 p -51.67 -45.18 63.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.813 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' H ' HG23 ' A' ' 20' ' ' ILE . . . 179.15 107.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.459 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.482 ' O ' HG21 ' A' ' 20' ' ' ILE . . . 46.76 -128.39 11.2 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.024 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.5 t -154.22 26.52 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.771 0.32 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.75 HD12 HG12 ' A' ' 26' ' ' ILE . 1.4 pp -109.03 139.05 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.014 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.75 HG12 HD12 ' A' ' 25' ' ' ILE . 22.4 mm 69.96 -65.3 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 167.53 11.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.83 -22.89 6.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.33 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 48.47 27.35 1.39 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.04 -35.01 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 0.0 110.733 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -160.49 158.99 30.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.642 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' HB3' ' HG2' ' A' ' 10' ' ' DBB . 1.3 m -140.17 -45.05 0.42 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.198 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.078 179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -98.41 36.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.7 38.64 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.14 129.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.461 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -61.29 -70.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.626 0.251 . . . . 0.0 110.927 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.66 HG23 HD22 ' A' ' 9' ' ' LEU . 28.5 mt 46.32 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.375 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -116.55 48.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.089 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.416 ' HG1' ' HB2' ' A' ' 13' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD22 HG23 ' A' ' 6' ' ' ILE . 0.8 OUTLIER -75.77 7.77 3.59 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -179.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.506 ' HG2' ' N ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' N ' ' HG2' ' A' ' 10' ' ' DBB . 58.3 mttt -54.45 -16.34 2.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.652 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -80.76 27.7 0.37 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.501 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.416 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 81.3 m -109.08 82.6 1.94 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.748 -0.205 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 74.4 Cg_exo -49.29 -26.72 11.91 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.339 2.026 . . . . 0.0 112.274 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -168.19 132.62 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.42 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.62 HG21 HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -90.39 -175.54 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.842 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.602 ' H ' HG22 ' A' ' 16' ' ' VAL . 3.6 pt -113.31 -168.2 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -57.81 -24.34 56.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -59.11 -23.9 62.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.264 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.719 HG22 ' HB2' ' A' ' 29' ' ' CYS . 1.1 mt -149.24 176.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.379 . . . . 0.0 110.496 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.597 ' H ' HG22 ' A' ' 20' ' ' ILE . 74.2 m -68.31 -79.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 21' ' ' CYS . . . 169.96 41.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.93 81.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.438 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.2 t -138.6 164.94 28.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.727 0.299 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.551 ' O ' HG22 ' A' ' 25' ' ' ILE . 17.8 mt -97.51 30.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.43 158.94 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 28' ' ' ALA . 89.3 m 64.17 162.47 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.738 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' ' 27' ' ' THR . . . -48.86 -27.47 3.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.815 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.719 ' HB2' HG22 ' A' ' 20' ' ' ILE . 16.9 p -70.97 64.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.388 . . . . 0.0 111.056 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -110.14 -31.32 7.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -72.55 164.22 26.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.979 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.3 -51.02 5.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.135 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.06 168.28 20.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.39 120.01 39.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.032 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.52 -134.78 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.524 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -74.63 -175.89 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 110.715 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 6' ' ' ILE . 1.9 pp -81.14 112.9 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.252 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -135.26 31.44 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.779 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.416 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.717 HD22 ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -92.24 -1.03 57.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -179.081 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.525 ' HG2' ' H ' ' A' ' 11' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.525 ' H ' ' HG2' ' A' ' 10' ' ' DBB . 3.8 mtmt -62.32 -20.58 64.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.51 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.78 -20.98 62.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.565 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 80.3 m -59.1 112.55 5.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.876 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.06 -22.22 30.41 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.323 2.015 . . . . 0.0 112.26 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 177.94 140.2 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.431 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 19' ' ' SER . 25.7 t -108.75 93.91 2.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.159 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.606 ' O ' HG22 ' A' ' 17' ' ' ILE . 20.8 mt -95.07 17.64 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -114.26 -58.14 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.457 ' HB2' HG11 ' A' ' 16' ' ' VAL . 39.6 m -68.93 -95.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.647 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 21' ' ' CYS . 33.4 mm -121.72 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.581 ' N ' HG22 ' A' ' 20' ' ' ILE . 0.1 OUTLIER 49.9 38.66 16.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.129 0.49 . . . . 0.0 110.339 -179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.25 93.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.724 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.68 51.09 57.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.58 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 171.56 16.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.729 0.3 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.733 HG22 HG13 ' A' ' 26' ' ' ILE . 20.0 mm -101.03 -66.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.733 HG13 HG22 ' A' ' 25' ' ' ILE . 31.4 mt -148.99 101.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.0 p -155.4 -58.95 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.93 -20.33 12.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.524 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.564 ' HB3' ' CA ' ' A' ' 21' ' ' CYS . 19.8 p -85.92 56.5 4.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.238 0.542 . . . . 0.0 111.038 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -80.39 -30.49 37.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.215 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -69.87 112.62 6.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.9 m -80.42 -55.53 4.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.849 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.075 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.841 0.353 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.44 91.24 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -136.76 -66.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 94.21 0.32 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.533 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -62.74 143.25 57.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.808 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.63 100.77 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -132.56 106.99 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.748 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' DBB . . . . . 0.531 ' CG ' ' HG2' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -88.26 -26.6 22.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' DBB . . . . . 0.569 ' HG3' ' O ' ' A' ' 10' ' ' DBB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -23.1 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.217 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HB2' HD13 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -99.68 20.57 13.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.644 -179.521 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.435 ' HB2' ' HG1' ' A' ' 8' ' ' DBB . 0.0 OUTLIER -148.18 90.85 4.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.653 0.263 . . . . 0.0 111.064 179.657 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo -86.66 41.17 0.76 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.001 2.468 . . . . 0.0 112.19 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.427 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 1.5 t-20 174.04 -26.83 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 18' ' ' SER . 21.5 t 77.89 134.51 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.892 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.601 ' O ' HG22 ' A' ' 17' ' ' ILE . 19.5 mt -90.65 17.54 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.563 -179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.687 ' H ' HG12 ' A' ' 16' ' ' VAL . 3.8 p -147.1 162.16 39.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.742 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.8 p -58.03 -74.01 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.091 0.472 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.77 HG13 ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -87.33 -175.25 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.498 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.664 ' N ' HG23 ' A' ' 20' ' ' ILE . 2.0 m -131.92 -45.94 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.502 . . . . 0.0 110.683 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' O ' HD13 ' A' ' 20' ' ' ILE . . . -141.67 -175.9 4.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.209 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.03 -128.4 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.639 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 p 61.25 153.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mt -109.91 -32.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.42 -54.98 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.052 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.96 162.99 17.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.623 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.77 ' HB1' HG13 ' A' ' 20' ' ' ILE . . . -100.81 -69.6 0.77 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.58 ' HB2' ' N ' ' A' ' 21' ' ' CYS . 2.4 t -145.91 95.44 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.25 -30.4 7.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.725 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -139.45 -177.15 4.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.744 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.2 m -118.53 -36.88 3.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.048 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.158 179.914 . . . . . . . . 0 0 . 1 stop_ save_