data_2ddl_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 2ddl _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 120.908 0.385 . . . . 1.0 111.25 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 48.98 82.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -67.1 -62.66 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 29.1 ttt180 -43.15 -64.02 0.71 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.072 0.463 . . . . 1.0 110.018 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.56 43.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.252 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.69 -48.55 72.28 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -44.7 -41.28 6.64 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.254 -0.884 . . . . 1.0 109.723 178.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.23 -56.07 19.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.758 -1.11 . . . . 1.0 109.948 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.5 m -50.47 -32.34 17.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.366 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -78.7 -40.99 32.21 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 178.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.78 -41.17 86.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.921 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -54.97 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.458 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.4 t -62.03 -68.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.215 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.51 137.5 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.273 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.36 60.7 0.84 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 114.272 0.469 . . . . 1.0 114.272 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.538 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 58.8 m -114.24 93.67 4.46 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-O 124.375 2.036 . . . . 1.0 110.471 174.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.97 -32.57 0.09 Allowed 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 109.518 -3.492 . . . . 1.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.19 154.88 18.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 1.0 111.201 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.99 -155.03 25.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.94 -0.648 . . . . 1.0 113.399 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CG ' ' OH ' ' A' ' 31' ' ' TYR . 2.4 mttp -131.74 145.7 51.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.823 -0.689 . . . . 1.0 111.516 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.5 151.12 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.772 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.727 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -136.4 167.82 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.002 0 CA-C-O 121.934 0.873 . . . . 1.0 109.606 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -7.27 -65.9 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.872 0 CA-C-O 124.488 2.16 . . . . 1.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 m-20 -141.77 13.15 2.09 Favored 'General case' 0 C--N 1.279 -2.472 0 CA-C-N 108.626 -3.787 . . . . 1.0 108.791 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.9 ttmt -107.99 170.86 7.74 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.915 1.34 . . . . 1.0 111.613 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.83 148.6 24.11 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 112.103 -2.317 . . . . 1.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.06 113.28 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m -72.68 177.53 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.949 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CD1' ' HA2' ' A' ' 21' ' ' GLY . 23.3 m-85 . . . . . 0 N--CA 1.407 -2.619 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.013 0.435 . . . . 1.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 37.33 77.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.262 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -84.94 -36.17 21.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.092 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 13.9 ttt85 -42.76 -63.05 0.85 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.501 . . . . 1.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.65 -37.53 68.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.398 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -58.22 -41.25 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.41 -41.36 13.57 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.485 0.66 . . . . 1.0 109.6 178.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.11 -54.92 24.61 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.893 -1.049 . . . . 1.0 109.839 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 p -48.55 -30.07 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.543 -1.208 . . . . 1.0 110.553 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.12 -46.56 28.22 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -53.96 -42.94 69.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.399 -0.818 . . . . 1.0 110.363 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -79.75 -54.82 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.676 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.1 t -61.37 -66.3 0.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.552 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' CYS . 3.9 mm? -132.78 110.86 10.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.954 0.407 . . . . 1.0 111.474 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.66 -22.24 0.24 Allowed Glycine 0 CA--C 1.481 -2.058 0 CA-C-O 118.865 -0.964 . . . . 1.0 114.544 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 m -73.25 97.35 2.43 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 115.786 -2.366 . . . . 1.0 110.081 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 93.96 0.05 Allowed 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 110.54 -3.027 . . . . 1.0 111.655 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 179.53 150.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.466 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.0 -154.88 25.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.816 -0.707 . . . . 1.0 113.114 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.81 145.18 4.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.851 -0.674 . . . . 1.0 111.283 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -102.12 153.78 19.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.84 169.7 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-O 122.238 1.018 . . . . 1.0 109.977 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.532 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.5 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.934 0 CA-C-N 112.116 -2.311 . . . . 1.0 112.538 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ILE . 31.7 t70 -138.19 11.25 2.81 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 108.936 -3.632 . . . . 1.0 108.942 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 17.9 tttt -104.96 170.32 7.94 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 122.792 1.282 . . . . 1.0 111.628 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -175.78 131.09 0.26 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 112.223 -2.262 . . . . 1.0 110.731 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -171.85 146.75 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.173 0.511 . . . . 1.0 111.506 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 59.1 m -60.88 170.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.487 -0.778 . . . . 1.0 110.462 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.416 -2.161 0 CA-C-O 120.803 0.335 . . . . 1.0 111.461 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.016 0.436 . . . . 1.0 110.82 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 48.45 81.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -70.58 -61.59 1.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.151 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.88 -62.6 0.97 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.08 0.467 . . . . 1.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -42.23 41.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.058 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.06 -48.46 73.44 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.481 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -44.15 -41.72 5.87 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.375 178.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -56.37 19.47 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.676 -1.147 . . . . 1.0 109.874 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -59.2 -23.85 62.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.722 -1.126 . . . . 1.0 110.609 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -38.47 64.7 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.328 0.585 . . . . 1.0 109.746 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.3 39.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.092 -0.958 . . . . 1.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.42 -66.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.884 0.373 . . . . 1.0 110.543 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -48.73 78.76 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.41 -168.09 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.1 -9.11 7.53 Favored Glycine 0 CA--C 1.477 -2.328 0 C-N-CA 120.663 -0.779 . . . . 1.0 113.591 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.1 m -83.55 97.4 9.02 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 116.374 -2.13 . . . . 1.0 109.456 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.62 -29.81 0.81 Allowed 'General case' 0 C--N 1.275 -2.646 0 CA-C-N 110.757 -2.929 . . . . 1.0 111.66 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp -80.92 156.5 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.094 0.473 . . . . 1.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.47 -155.19 24.52 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.663 -0.699 . . . . 1.0 113.066 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -159.03 144.73 16.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.924 -0.638 . . . . 1.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t -102.96 154.59 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -135.13 172.08 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 122.321 1.057 . . . . 1.0 110.047 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.16 -66.3 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.9 -2.409 . . . . 1.0 112.136 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.3 m-20 -139.16 11.61 2.6 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 108.99 -3.605 . . . . 1.0 108.96 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 12.6 tttt -105.37 170.5 7.84 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.872 1.32 . . . . 1.0 111.798 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 t -170.09 128.24 0.88 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 112.074 -2.33 . . . . 1.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -157.18 145.46 19.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 1.0 111.438 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.78 175.3 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.748 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.415 -2.177 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.769 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.706 0.289 . . . . 1.0 110.765 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 43.01 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -68.5 -54.95 13.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.189 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 22.2 mtm180 -42.33 -61.66 1.14 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.176 0.513 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mmm -50.84 -42.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.086 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -56.24 -45.4 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.563 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.25 -40.9 12.22 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.494 -0.776 . . . . 1.0 109.889 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.88 -55.01 22.68 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.83 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.02 -31.47 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.629 -1.168 . . . . 1.0 110.413 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -77.25 -39.23 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.631 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -71.45 -35.93 71.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.934 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.18 -47.84 17.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.476 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.8 t -55.13 -63.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.65 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -166.07 -172.2 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.478 0.547 . . . . 1.0 112.478 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.17 54.43 1.85 Allowed Glycine 0 CA--C 1.469 -2.833 0 CA-C-N 115.767 -0.651 . . . . 1.0 113.128 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 63.6 m -108.54 96.08 6.1 Favored 'General case' 0 N--CA 1.41 -2.434 0 CA-C-O 124.129 1.919 . . . . 1.0 109.409 174.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.4 27.41 Favored 'General case' 0 C--N 1.259 -3.36 0 CA-C-N 109.901 -3.318 . . . . 1.0 111.998 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.54 160.61 40.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.716 0.77 . . . . 1.0 112.271 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . -169.74 -156.1 10.64 Favored Glycine 0 N--CA 1.425 -2.1 0 CA-C-N 114.61 -1.177 . . . . 1.0 113.02 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -160.97 145.49 13.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.024 -0.588 . . . . 1.0 111.774 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.21 153.51 23.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.749 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -136.15 171.74 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 CA-C-O 122.364 1.078 . . . . 1.0 110.196 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -9.77 -66.29 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.926 -2.397 . . . . 1.0 112.181 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -138.62 11.4 2.71 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 108.987 -3.606 . . . . 1.0 109.011 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 14.1 tttm -104.7 170.31 7.95 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-O 122.855 1.312 . . . . 1.0 111.751 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.2 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 112.1 -2.318 . . . . 1.0 110.523 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.17 144.18 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.086 0.469 . . . . 1.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 44.8 m -66.16 171.35 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 3.7 m-85 . . . . . 0 N--CA 1.415 -2.222 0 CA-C-O 120.711 0.291 . . . . 1.0 111.102 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.079 0.466 . . . . 1.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 46.11 81.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -76.91 -49.98 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.34 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -42.36 -63.02 0.82 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.209 0.528 . . . . 1.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -40.02 63.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.269 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -43.77 77.67 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.814 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -47.72 -41.5 23.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.836 178.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -53.19 32.4 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.898 -1.046 . . . . 1.0 110.001 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -46.97 -36.16 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.475 -1.239 . . . . 1.0 110.406 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -44.0 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.462 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 12.7 ttm180 -60.49 -48.57 81.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.838 -1.074 . . . . 1.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -71.58 -54.71 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.0 t -53.59 -50.29 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.366 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -139.08 -79.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.333 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 13' ' ' ARG . . . 146.89 -9.88 1.36 Allowed Glycine 0 CA--C 1.477 -2.296 0 C-N-CA 120.677 -0.773 . . . . 1.0 113.617 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.49 97.12 6.99 Favored 'General case' 0 N--CA 1.421 -1.909 0 C-N-CA 116.254 -2.179 . . . . 1.0 109.782 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 86.8 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.704 0 CA-C-N 110.86 -2.882 . . . . 1.0 111.407 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -178.6 133.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.709 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 171.2 -155.32 24.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.072 -0.585 . . . . 1.0 113.144 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -169.1 147.33 3.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -0.647 . . . . 1.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.1 t -102.58 153.48 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.688 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -137.45 170.04 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-O 122.299 1.047 . . . . 1.0 110.109 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.83 -65.85 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.944 0 CA-C-N 112.064 -2.334 . . . . 1.0 112.552 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.8 m-20 -137.05 10.66 3.06 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 109.009 -3.595 . . . . 1.0 108.982 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.9 ttpp -102.42 170.01 8.32 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 122.898 1.332 . . . . 1.0 111.777 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 48.8 t -176.77 125.48 0.16 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 112.035 -2.348 . . . . 1.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 149.04 1.08 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.306 0.574 . . . . 1.0 111.567 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.524 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.2 m -58.06 166.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.184 -0.917 . . . . 1.0 110.192 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.415 -2.18 0 CA-C-O 121.183 0.516 . . . . 1.0 111.18 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.932 0.396 . . . . 1.0 110.822 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 54.12 81.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.62 -67.01 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.285 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.96 -60.2 1.48 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.025 0.44 . . . . 1.0 110.597 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpp -52.34 -43.14 64.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -56.88 -42.38 79.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -48.09 -41.41 26.16 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.456 0.646 . . . . 1.0 109.628 178.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -53.29 31.86 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.876 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -47.43 -34.31 7.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.424 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -72.68 -46.05 55.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.53 -46.8 83.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.118 -0.947 . . . . 1.0 110.49 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -54.26 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.534 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -57.8 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.74 -82.75 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.188 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 145.7 -2.47 1.06 Allowed Glycine 0 CA--C 1.476 -2.397 0 CA-C-O 119.024 -0.875 . . . . 1.0 114.114 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.6 m -88.49 97.96 11.37 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 116.248 -2.181 . . . . 1.0 109.837 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' N ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -48.38 83.01 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 110.595 -3.002 . . . . 1.0 111.973 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 173.8 149.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.795 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 167.98 -154.78 25.06 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.942 -0.647 . . . . 1.0 113.003 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.49 144.59 22.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.956 -0.622 . . . . 1.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 t -106.01 153.29 22.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.788 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.99 169.38 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 122.236 1.017 . . . . 1.0 109.865 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.25 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.878 0 CA-C-N 112.144 -2.298 . . . . 1.0 112.492 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' ILE . 23.5 t0 -138.92 11.65 2.65 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 108.88 -3.66 . . . . 1.0 108.907 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.1 ttmt -105.86 170.43 7.91 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 122.797 1.284 . . . . 1.0 111.532 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -173.71 134.95 0.5 Allowed 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 112.238 -2.256 . . . . 1.0 110.938 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -168.18 146.2 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 1.0 111.222 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 29.4 m -58.95 167.46 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.421 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.424 -1.74 0 CA-C-O 121.025 0.441 . . . . 1.0 110.573 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 1.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.56 80.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -80.87 -52.53 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.42 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -43.05 -62.5 1.02 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.096 0.474 . . . . 1.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.8 ptp -55.97 -37.14 68.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.309 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.24 -41.74 80.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.662 -0.496 . . . . 1.0 109.662 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -46.89 -41.5 15.96 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.742 -0.663 . . . . 1.0 109.85 178.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.48 -54.0 31.51 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.949 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -47.96 -34.5 9.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.589 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -75.04 -43.48 53.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.38 0.61 . . . . 1.0 109.53 179.038 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -61.89 -46.11 90.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.066 -0.97 . . . . 1.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -72.38 -53.59 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -55.15 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -139.38 -77.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.352 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 140.21 7.01 0.98 Allowed Glycine 0 CA--C 1.478 -2.235 0 C-N-CA 120.676 -0.773 . . . . 1.0 114.041 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.4 m -86.69 97.3 10.5 Favored 'General case' 0 N--CA 1.421 -1.895 0 C-N-CA 116.625 -2.03 . . . . 1.0 109.714 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 76.69 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.703 0 CA-C-N 110.482 -3.054 . . . . 1.0 111.794 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 9.6 tp 179.4 140.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.22 -154.82 24.59 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 121.056 -0.593 . . . . 1.0 112.952 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -157.15 141.96 16.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.974 -0.613 . . . . 1.0 111.208 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 52.4 t -103.78 153.79 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.795 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.699 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -136.62 169.92 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-O 122.256 1.027 . . . . 1.0 110.057 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.72 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.919 0 CA-C-N 112.105 -2.316 . . . . 1.0 112.576 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.9 m-20 -137.62 10.97 2.94 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 108.903 -3.648 . . . . 1.0 108.993 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.699 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -104.54 170.02 8.13 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.769 1.271 . . . . 1.0 111.521 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -177.64 132.87 0.16 Allowed 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 112.227 -2.26 . . . . 1.0 110.755 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -169.1 144.14 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.05 0.452 . . . . 1.0 111.634 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.9 m -70.58 174.27 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.483 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 1.9 m-85 . . . . . 0 N--CA 1.422 -1.83 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.998 0.428 . . . . 1.0 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 52.72 82.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -72.26 -60.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.96 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.28 -60.89 1.32 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.979 0.418 . . . . 1.0 110.487 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 tpp -50.42 -43.69 54.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.013 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -45.71 75.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.612 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.3 -41.56 19.32 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.907 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.67 -53.61 29.72 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.872 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -46.98 -34.07 5.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.483 -1.235 . . . . 1.0 110.368 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -73.13 -46.52 50.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.39 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -57.03 -45.58 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.087 -0.961 . . . . 1.0 110.49 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -54.74 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -58.62 -64.7 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.18 -84.24 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.285 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 147.5 -6.09 1.04 Allowed Glycine 0 CA--C 1.474 -2.486 0 CA-C-O 119.042 -0.866 . . . . 1.0 114.064 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 m -86.65 98.06 10.91 Favored 'General case' 0 N--CA 1.42 -1.941 0 C-N-CA 116.153 -2.219 . . . . 1.0 109.77 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.63 83.69 0.0 OUTLIER 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 110.657 -2.974 . . . . 1.0 112.154 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 174.71 145.76 0.06 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.818 179.664 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.16 -154.89 25.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.913 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 143.96 16.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.958 -0.621 . . . . 1.0 111.292 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -105.64 153.54 21.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.564 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.2 mt -135.52 172.26 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.25 0 CA-C-O 122.403 1.097 . . . . 1.0 110.234 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.522 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.39 -66.24 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.837 0 CA-C-N 111.832 -2.44 . . . . 1.0 112.174 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ILE . 12.9 t70 -138.29 11.2 2.79 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.974 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 1.4 ttmm -103.92 170.06 8.14 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.856 1.312 . . . . 1.0 111.631 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.7 t -172.92 133.08 0.54 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 112.139 -2.301 . . . . 1.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -169.89 146.42 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 1.0 111.325 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 36.6 m -59.46 168.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.47 -0.787 . . . . 1.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 2.5 m-85 . . . . . 0 N--CA 1.423 -1.798 0 CA-C-O 121.09 0.471 . . . . 1.0 110.607 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.11 0.481 . . . . 1.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 37.27 76.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.253 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.75 -42.98 19.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.283 -0.871 . . . . 1.0 111.201 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.4 tmm_? -41.75 -59.87 1.53 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.41 -45.02 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.822 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -44.54 84.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.65 -40.46 13.16 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.341 -0.845 . . . . 1.0 109.762 178.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -55.07 22.82 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.784 -1.098 . . . . 1.0 109.905 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -50.4 -34.98 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.356 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.97 -40.99 60.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.417 178.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.2 -58.02 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.81 -1.087 . . . . 1.0 110.586 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -58.42 -50.84 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 11' ' ' SER . 45.1 t -56.19 -62.55 1.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -144.54 -163.12 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 1.0 111.391 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.57 44.3 1.52 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.968 -0.634 . . . . 1.0 112.009 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 20' ' ' LEU . 40.9 t -126.41 27.78 6.11 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 125.488 2.565 . . . . 1.0 110.662 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -14.91 -43.59 0.0 OUTLIER 'General case' 1 C--N 1.225 -4.842 1 CA-C-N 106.416 -4.902 . . . . 1.0 113.976 -179.869 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.4 mm? -43.09 156.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.105 0.479 . . . . 1.0 111.604 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 170.42 -155.62 25.35 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.991 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.02 145.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.028 -0.586 . . . . 1.0 111.662 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.3 153.65 20.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.73 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -135.01 172.17 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.244 0 CA-C-O 122.34 1.067 . . . . 1.0 110.208 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.28 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.859 0 CA-C-N 111.924 -2.398 . . . . 1.0 112.138 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.7 t0 -138.87 11.48 2.66 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 109.051 -3.574 . . . . 1.0 108.904 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 3.4 ttpt -104.88 170.3 7.95 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-O 122.83 1.3 . . . . 1.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.28 132.86 0.81 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 112.183 -2.281 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.17 144.85 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.472 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 76.3 m -63.69 -177.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.511 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.426 -1.641 0 CA-C-O 121.078 0.466 . . . . 1.0 109.945 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 121.024 0.44 . . . . 1.0 111.78 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 41.82 80.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.7 -57.5 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.152 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.9 tmm_? -42.04 -61.37 1.16 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.112 0.482 . . . . 1.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.38 -43.52 54.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.0 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.62 -45.84 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.4 mt-30 -46.57 -41.28 14.19 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.496 -0.774 . . . . 1.0 109.845 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -54.59 26.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.921 -1.036 . . . . 1.0 109.853 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 41.0 t -47.08 -34.1 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.532 -1.213 . . . . 1.0 110.342 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.54 -44.23 29.31 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 178.331 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -55.09 -42.73 73.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.062 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -80.14 -55.32 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.416 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' SER . 27.3 t -61.21 -66.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.486 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.31 -86.56 0.64 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.545 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 154.27 6.95 0.09 OUTLIER Glycine 0 CA--C 1.481 -2.058 0 C-N-CA 120.306 -0.949 . . . . 1.0 114.667 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -89.31 96.9 10.91 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 116.559 -2.057 . . . . 1.0 109.94 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.34 -28.09 1.23 Allowed 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 110.618 -2.992 . . . . 1.0 112.053 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 156.57 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 1.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.92 -155.31 25.07 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.548 -0.751 . . . . 1.0 113.035 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -151.73 142.81 23.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.944 -0.628 . . . . 1.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.1 152.8 25.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.76 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.4 mp -135.97 169.6 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 CA-C-O 122.069 0.937 . . . . 1.0 109.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -7.15 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.055 0 CA-C-N 112.349 -2.205 . . . . 1.0 112.314 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.6 m-20 -140.81 11.79 2.25 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 108.656 -3.772 . . . . 1.0 109.25 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.76 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.82 170.59 7.81 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.862 1.315 . . . . 1.0 111.74 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.46 134.68 4.02 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 112.038 -2.346 . . . . 1.0 110.648 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 130.18 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 1.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -70.72 168.47 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.632 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 120.921 0.391 . . . . 1.0 111.014 -179.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.174 0.512 . . . . 1.0 110.83 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 42.25 78.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 1.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -67.18 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.137 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.78 -58.63 1.93 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.899 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -50.07 -46.05 53.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -44.55 80.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.38 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.97 -40.86 23.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.808 178.738 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.18 -53.46 34.66 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 114.824 -1.08 . . . . 1.0 110.039 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 20.8 p -47.87 -36.64 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.603 -1.181 . . . . 1.0 110.484 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.31 -40.75 43.21 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.72 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.322 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -73.17 -55.71 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 31.2 t -55.94 -46.05 78.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.24 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.15 -88.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.458 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 159.19 44.68 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.559 0 C-N-CA 120.636 -0.792 . . . . 1.0 113.597 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.93 95.76 5.74 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-O 124.28 1.99 . . . . 1.0 110.236 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.571 ' CD2' ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.0 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.267 -3.011 0 CA-C-N 109.655 -3.43 . . . . 1.0 112.287 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.25 157.35 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 1.0 111.438 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 173.83 -155.69 22.38 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 115.445 -0.798 . . . . 1.0 113.26 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -151.73 141.04 21.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.887 -0.656 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.1 t -107.69 154.35 21.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.046 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -133.5 172.1 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.322 0 CA-C-O 122.293 1.044 . . . . 1.0 109.99 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.07 -66.42 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.866 0 CA-C-N 112.015 -2.357 . . . . 1.0 111.91 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 p30 -140.4 12.24 2.35 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 109.001 -3.6 . . . . 1.0 108.939 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 32.4 tttt -105.65 170.45 7.88 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 122.911 1.339 . . . . 1.0 111.88 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.78 133.06 9.84 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.075 -2.33 . . . . 1.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 129.88 14.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.981 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 8.9 m -79.84 168.46 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.469 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.415 -2.189 0 CA-C-O 120.907 0.384 . . . . 1.0 111.867 -178.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.101 0.477 . . . . 1.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 41.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -78.45 -60.37 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.062 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 37.1 mtm180 -42.18 -61.13 1.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.45 . . . . 1.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.35 -44.31 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.84 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -54.87 -47.52 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.43 178.602 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.1 mt-30 -46.12 -41.18 12.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.113 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.99 -54.54 28.59 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.93 -1.032 . . . . 1.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.1 p -48.98 -36.04 16.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.59 -1.186 . . . . 1.0 110.625 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -78.31 -39.12 40.66 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.51 0.672 . . . . 1.0 109.196 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.85 -47.79 84.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.905 -1.043 . . . . 1.0 110.086 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -73.39 -55.08 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.133 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' SER . 33.2 t -56.13 -58.85 6.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.142 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -133.65 -89.24 0.39 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.563 -0.289 . . . . 1.0 111.431 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 163.07 38.26 0.02 OUTLIER Glycine 0 CA--C 1.475 -2.414 0 C-N-CA 120.679 -0.772 . . . . 1.0 113.824 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 30' ' ' CYS . 30.4 m -105.79 95.91 6.12 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 124.255 1.979 . . . . 1.0 110.049 174.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -46.53 76.44 Favored 'General case' 0 C--N 1.266 -3.023 0 CA-C-N 109.664 -3.426 . . . . 1.0 112.332 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.3 154.33 21.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.128 0.49 . . . . 1.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 176.35 -155.27 18.61 Favored Glycine 0 N--CA 1.434 -1.468 0 CA-C-N 115.745 -0.662 . . . . 1.0 113.403 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -147.97 142.01 25.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.845 -0.678 . . . . 1.0 111.161 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -113.53 152.73 29.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.56 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mt -137.06 172.08 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.212 0 CA-C-O 122.359 1.076 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.518 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.05 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.925 0 CA-C-N 111.857 -2.428 . . . . 1.0 112.211 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.5 p30 -138.23 11.11 2.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 109.039 -3.58 . . . . 1.0 109.009 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 1.3 ttmt -102.32 169.93 8.39 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 122.906 1.336 . . . . 1.0 111.836 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -169.25 132.12 1.26 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 112.081 -2.327 . . . . 1.0 110.555 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -160.31 130.55 5.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.914 0.388 . . . . 1.0 111.28 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.7 m -77.66 161.57 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.157 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 40.6 m-85 . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.884 0.373 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.33 82.43 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -73.46 -63.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.243 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 24.8 ttt180 -42.81 -62.95 0.87 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.146 0.498 . . . . 1.0 110.095 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.6 tpp -52.07 -40.25 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.316 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -45.22 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -45.7 -41.4 10.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.857 178.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.49 -55.01 24.92 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.895 -1.048 . . . . 1.0 109.963 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 38.4 m -50.18 -29.3 9.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.581 -1.191 . . . . 1.0 110.535 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -79.16 -43.47 23.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 178.683 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.41 -38.52 71.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.114 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -55.32 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.806 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.3 t -62.68 -68.09 0.36 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.575 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.6 mt -153.3 134.29 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.264 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.27 51.22 2.48 Favored Glycine 0 CA--C 1.479 -2.194 0 N-CA-C 114.724 0.649 . . . . 1.0 114.724 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -117.64 95.48 4.96 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 123.938 1.828 . . . . 1.0 109.725 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.85 -33.46 0.08 Allowed 'General case' 0 C--N 1.269 -2.912 0 CA-C-N 109.977 -3.283 . . . . 1.0 112.191 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -76.69 156.36 32.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.169 0.509 . . . . 1.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 165.27 -154.51 25.3 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.535 -0.757 . . . . 1.0 112.638 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -158.52 142.42 15.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.081 -0.559 . . . . 1.0 111.67 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.0 t -117.62 146.43 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.701 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.671 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -138.56 171.21 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.974 0 CA-C-O 122.621 1.201 . . . . 1.0 110.441 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.549 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -11.61 -65.1 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.81 0 CA-C-N 111.745 -2.479 . . . . 1.0 113.261 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -130.69 7.63 4.83 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-N 109.513 -3.343 . . . . 1.0 108.882 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.671 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -94.41 169.84 9.92 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.84 1.305 . . . . 1.0 111.717 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t 176.74 121.27 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.062 -2.335 . . . . 1.0 110.611 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 142.53 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 5.5 m -63.46 -163.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.944 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.414 -2.232 0 CA-C-O 120.846 0.355 . . . . 1.0 111.73 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.025 0.44 . . . . 1.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 45.63 80.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.59 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.055 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -41.64 -60.43 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.087 0.47 . . . . 1.0 110.585 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 ttt -50.57 -44.67 56.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.965 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.37 -44.89 76.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.53 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -47.5 -41.92 21.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.882 178.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.76 -53.2 33.69 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.935 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.0 t -49.9 -28.3 6.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.817 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -46.82 57.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.239 0.542 . . . . 1.0 110.064 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -44.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -53.29 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t -58.09 -64.47 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.52 -83.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.17 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.32 -20.16 0.83 Allowed Glycine 0 CA--C 1.478 -2.261 0 CA-C-O 119.021 -0.877 . . . . 1.0 113.64 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 m -76.77 97.46 4.51 Favored 'General case' 0 N--CA 1.423 -1.815 0 C-N-CA 115.9 -2.32 . . . . 1.0 109.767 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.99 87.38 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 110.733 -2.94 . . . . 1.0 111.422 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.37 150.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 164.24 -154.87 25.96 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.802 -0.714 . . . . 1.0 113.058 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -167.53 142.93 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.812 -0.694 . . . . 1.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -100.89 154.52 18.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -135.52 169.49 20.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 CA-C-O 122.151 0.977 . . . . 1.0 109.878 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.527 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.12 -66.02 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 112.197 -2.274 . . . . 1.0 112.419 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 7.2 t70 -138.9 11.55 2.65 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 108.837 -3.681 . . . . 1.0 108.975 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.1 ttmt -104.69 170.31 7.95 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 122.865 1.317 . . . . 1.0 111.778 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -171.48 128.97 0.68 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 112.103 -2.317 . . . . 1.0 110.57 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -163.16 143.72 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 1.0 111.279 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 65.8 m -68.49 171.15 7.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 9.3 m-85 . . . . . 0 N--CA 1.42 -1.951 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.032 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.932 0.396 . . . . 1.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 48.74 82.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tm? -73.4 -66.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.64 -61.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.086 0.47 . . . . 1.0 110.418 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttm -51.45 -41.6 60.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.321 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -56.09 -45.25 79.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 178.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.555 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -45.63 -41.32 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.813 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -55.11 25.03 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.995 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.478 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -79.22 -42.52 25.79 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -56.55 -40.75 75.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -82.29 -54.84 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.446 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.8 t -61.59 -67.1 0.44 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.4 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.47 137.07 9.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.834 0.349 . . . . 1.0 111.3 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 53.15 1.75 Allowed Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 114.664 0.626 . . . . 1.0 114.664 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 56.6 m -117.05 95.42 4.99 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 123.825 1.774 . . . . 1.0 109.409 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -27.8 0.57 Allowed 'General case' 0 C--N 1.26 -3.313 0 CA-C-N 110.362 -3.108 . . . . 1.0 111.615 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.8 tp -76.84 153.69 34.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.446 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 160.39 -154.23 25.23 Favored Glycine 0 CA--C 1.503 -0.662 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.434 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -161.18 145.52 13.45 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.212 0.53 . . . . 1.0 111.879 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 16.0 t -117.61 145.79 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.591 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.684 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.09 171.3 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 CA-C-O 122.56 1.172 . . . . 1.0 110.403 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.549 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -11.5 -65.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 111.698 -2.501 . . . . 1.0 113.225 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.06 7.77 4.69 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 109.466 -3.367 . . . . 1.0 108.876 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.0 tttp -95.55 169.68 9.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 122.825 1.298 . . . . 1.0 111.609 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 43.9 t 174.31 124.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 112.041 -2.345 . . . . 1.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.92 142.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 1.0 111.454 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.0 m -67.54 -173.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.42 -1.955 0 N-CA-C 112.556 0.576 . . . . 1.0 112.556 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.028 0.442 . . . . 1.0 110.7 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 44.73 79.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.729 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.14 -50.45 16.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.644 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.6 ttp85 -43.78 -64.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.1 0.476 . . . . 1.0 110.276 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.9 ptm -53.21 -37.1 61.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.291 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -56.45 -45.92 80.57 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -43.99 -41.52 5.43 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.46 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.86 -57.17 11.9 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 114.737 -1.12 . . . . 1.0 109.697 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -26.44 60.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.588 -1.187 . . . . 1.0 110.371 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -76.19 -39.74 54.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -65.68 -51.85 56.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.957 -1.019 . . . . 1.0 110.164 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.19 -50.3 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.954 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -55.24 -60.48 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.543 . . . . 1.0 111.125 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mt -153.47 131.76 11.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 1.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.25 -25.48 0.15 Allowed Glycine 0 CA--C 1.479 -2.194 0 CA-C-O 118.877 -0.957 . . . . 1.0 114.435 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -74.01 97.79 2.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.639 -2.424 . . . . 1.0 109.833 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -29.26 30.43 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-N 110.579 -3.009 . . . . 1.0 111.933 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 150.51 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.31 -155.22 25.73 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.873 -0.679 . . . . 1.0 113.241 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.27 145.86 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.852 -0.674 . . . . 1.0 111.221 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 t -101.92 153.55 19.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.746 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -136.8 169.93 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 122.261 1.029 . . . . 1.0 110.102 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.65 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.938 0 CA-C-N 112.038 -2.346 . . . . 1.0 112.57 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.4 p30 -137.49 10.9 2.96 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 108.977 -3.611 . . . . 1.0 108.97 178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.3 tttt -103.2 170.11 8.15 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 122.853 1.311 . . . . 1.0 111.779 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.1 t -176.33 125.76 0.19 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 112.131 -2.304 . . . . 1.0 110.641 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -172.17 147.53 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.187 0.518 . . . . 1.0 111.468 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 79.1 m -60.31 173.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.542 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.42 -1.969 0 CA-C-O 120.796 0.332 . . . . 1.0 111.339 -179.159 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.884 0.374 . . . . 1.0 111.39 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m120 47.59 81.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -75.39 -67.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.23 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -41.98 -60.97 1.24 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.139 0.495 . . . . 1.0 110.602 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.9 ttm -51.99 -42.69 63.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.296 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -56.91 -43.36 81.3 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -46.19 -41.7 13.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.687 178.528 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.79 -55.08 21.96 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.708 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -53.56 -27.25 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.505 -1.225 . . . . 1.0 110.375 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -77.49 -42.6 35.16 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.959 -0.756 . . . . 1.0 108.959 178.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -42.49 88.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.21 -0.905 . . . . 1.0 110.034 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -78.34 -53.29 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -60.23 -66.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.211 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -161.96 135.84 6.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.984 0.421 . . . . 1.0 111.258 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.37 55.35 0.64 Allowed Glycine 0 CA--C 1.481 -2.06 0 N-CA-C 115.103 0.801 . . . . 1.0 115.103 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.8 m -114.61 95.39 5.22 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-O 123.878 1.799 . . . . 1.0 109.528 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.42 -30.57 0.34 Allowed 'General case' 0 C--N 1.269 -2.913 0 CA-C-N 110.108 -3.224 . . . . 1.0 111.629 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 31' ' ' TYR . 3.2 mm? -75.14 158.31 33.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 1.0 111.224 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.55 -155.61 25.86 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.284 -0.871 . . . . 1.0 112.577 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -176.22 145.6 0.62 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.128 -0.536 . . . . 1.0 111.755 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.59 151.71 24.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.267 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mp -135.91 169.63 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 CA-C-O 122.125 0.964 . . . . 1.0 110.194 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -7.28 -66.15 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.087 0 CA-C-N 112.249 -2.25 . . . . 1.0 112.503 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.6 t0 -139.72 11.41 2.47 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 108.716 -3.742 . . . . 1.0 109.184 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.3 ttmt -105.98 170.61 7.8 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 122.872 1.32 . . . . 1.0 111.404 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -170.86 135.2 1.05 Allowed 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 112.095 -2.321 . . . . 1.0 110.71 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.99 144.97 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.073 0.463 . . . . 1.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 10.8 m -62.85 -173.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.422 -1.831 0 CA-C-O 121.117 0.484 . . . . 1.0 110.668 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.936 0.398 . . . . 1.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 53.25 82.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -71.42 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.031 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 1.2 mpt_? -42.14 -61.94 1.05 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.143 0.497 . . . . 1.0 110.385 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.66 -42.8 57.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.137 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.11 -45.9 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 178.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -46.66 -41.7 15.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.93 178.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -53.84 32.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.912 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -34.83 8.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.514 -1.221 . . . . 1.0 110.518 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -44.3 56.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.791 -0.641 . . . . 1.0 109.543 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -60.59 -45.35 94.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.41 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -73.21 -54.02 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.3 t -57.07 -63.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.35 -84.65 0.66 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.81 -31.75 0.51 Allowed Glycine 0 CA--C 1.476 -2.36 0 CA-C-O 118.885 -0.953 . . . . 1.0 113.606 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -74.07 97.51 2.9 Favored 'General case' 0 N--CA 1.422 -1.83 0 C-N-CA 115.654 -2.418 . . . . 1.0 109.946 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -54.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.116 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 tp 177.65 133.11 0.07 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 172.19 -154.8 22.29 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.134 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -150.31 143.33 24.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.928 -0.636 . . . . 1.0 111.2 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.9 t -105.21 153.75 21.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.561 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.2 mt -136.08 172.3 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.242 0 CA-C-O 122.451 1.119 . . . . 1.0 110.223 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.61 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.905 0 CA-C-N 111.798 -2.456 . . . . 1.0 112.286 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.1 t70 -137.67 10.87 2.92 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 109.119 -3.541 . . . . 1.0 108.94 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -104.44 170.11 8.09 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.84 1.305 . . . . 1.0 111.54 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.2 t -176.06 131.76 0.24 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 112.225 -2.262 . . . . 1.0 110.68 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.46 144.8 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.139 0.495 . . . . 1.0 111.634 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.485 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 11.3 m -67.48 172.81 4.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.258 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.42 -1.969 0 CA-C-O 121.235 0.541 . . . . 1.0 110.769 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.105 0.479 . . . . 1.0 110.788 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 43.76 78.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -82.28 -49.72 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.517 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.42 -62.21 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.203 0.525 . . . . 1.0 110.577 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 ptm -54.26 -39.52 66.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.396 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.61 -42.21 82.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.595 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.3 -41.45 13.22 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.662 178.613 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.01 -54.96 23.66 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.817 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -48.49 -31.15 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.537 -1.21 . . . . 1.0 110.492 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.46 -45.59 30.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.52 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.02 -42.87 73.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.286 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -54.71 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.588 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 32.7 t -60.88 -66.16 0.58 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.461 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 mt -135.09 110.24 8.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 1.0 111.412 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.32 -22.43 0.21 Allowed Glycine 0 CA--C 1.48 -2.145 0 CA-C-O 118.862 -0.966 . . . . 1.0 114.568 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.55 97.37 2.59 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.817 -2.353 . . . . 1.0 110.133 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.44 105.62 0.54 Allowed 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.313 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER 168.94 151.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 162.42 -154.83 25.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.664 -0.779 . . . . 1.0 113.249 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -163.34 143.64 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.852 -0.674 . . . . 1.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -102.17 154.74 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.661 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.15 169.46 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 122.195 0.997 . . . . 1.0 109.831 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.22 -65.99 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.891 0 CA-C-N 112.2 -2.273 . . . . 1.0 112.502 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.8 p30 -138.94 11.57 2.64 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 108.816 -3.692 . . . . 1.0 108.968 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.9 tttm -105.91 170.51 7.86 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 122.829 1.299 . . . . 1.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -173.88 133.37 0.44 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 112.192 -2.276 . . . . 1.0 110.824 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 144.02 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.249 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 62.2 m -65.22 172.99 2.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.416 -2.158 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.36 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.962 0.41 . . . . 1.0 110.914 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.86 80.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.59 -66.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 2.5 ttm180 -41.89 -60.7 1.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.178 0.514 . . . . 1.0 110.669 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpp -51.29 -43.53 61.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.114 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -44.31 80.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.5 -41.55 14.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.904 178.6 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.23 -54.62 24.01 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.805 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' OG ' ' A' ' 15' ' ' SER . 73.3 m -51.46 -36.47 44.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.52 -1.218 . . . . 1.0 110.402 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -68.14 -42.72 79.73 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -70.07 -29.42 66.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.012 -0.995 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -77.34 -66.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.744 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -57.42 -63.56 1.19 Allowed 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.962 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -120.09 -93.5 0.52 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.725 -0.216 . . . . 1.0 111.552 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 156.29 -10.48 0.31 Allowed Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 120.296 -0.954 . . . . 1.0 114.357 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -78.02 97.38 5.36 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 115.858 -2.337 . . . . 1.0 109.997 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -33.37 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 110.436 -3.075 . . . . 1.0 112.22 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -56.36 152.61 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 1.0 111.056 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.14 -155.21 26.3 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.194 -0.526 . . . . 1.0 112.849 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -171.57 148.39 2.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.947 -0.626 . . . . 1.0 111.496 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.01 152.21 28.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.627 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.561 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.2 mt -136.06 172.01 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 CA-C-O 122.405 1.098 . . . . 1.0 110.318 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.13 -66.19 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.928 0 CA-C-N 111.822 -2.444 . . . . 1.0 112.319 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' ILE . 32.4 p30 -138.13 11.14 2.82 Favored 'General case' 0 C--N 1.281 -2.399 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.971 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 19.4 tttm -103.95 169.97 8.19 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.798 1.285 . . . . 1.0 111.582 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -173.72 133.35 0.46 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.165 -2.289 . . . . 1.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.14 143.43 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.055 0.455 . . . . 1.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.3 m -66.32 173.08 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.505 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.423 -1.783 0 CA-C-O 121.14 0.495 . . . . 1.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.835 0.35 . . . . 1.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER 62.42 149.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.85 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.22 91.41 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.25 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 48.98 82.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -67.1 -62.66 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 29.1 ttt180 -43.15 -64.02 0.71 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.072 0.463 . . . . 1.0 110.018 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.56 43.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.252 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.69 -48.55 72.28 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -44.7 -41.28 6.64 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.254 -0.884 . . . . 1.0 109.723 178.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.23 -56.07 19.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.758 -1.11 . . . . 1.0 109.948 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.5 m -50.47 -32.34 17.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.366 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -78.7 -40.99 32.21 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 178.604 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.78 -41.17 86.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.921 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -54.97 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.458 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.4 t -62.03 -68.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.215 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.51 137.5 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.273 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.36 60.7 0.84 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 114.272 0.469 . . . . 1.0 114.272 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.538 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 58.8 m -114.24 93.67 4.46 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-O 124.375 2.036 . . . . 1.0 110.471 174.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.97 -32.57 0.09 Allowed 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 109.518 -3.492 . . . . 1.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.19 154.88 18.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 1.0 111.201 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.99 -155.03 25.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.94 -0.648 . . . . 1.0 113.399 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CG ' ' OH ' ' A' ' 31' ' ' TYR . 2.4 mttp -131.74 145.7 51.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.823 -0.689 . . . . 1.0 111.516 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 44.3 t -112.5 151.12 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.772 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.727 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -136.4 167.82 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.002 0 CA-C-O 121.934 0.873 . . . . 1.0 109.606 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -7.27 -65.9 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.872 0 CA-C-O 124.488 2.16 . . . . 1.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 m-20 -141.77 13.15 2.09 Favored 'General case' 0 C--N 1.279 -2.472 0 CA-C-N 108.626 -3.787 . . . . 1.0 108.791 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.727 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.9 ttmt -107.99 170.86 7.74 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.915 1.34 . . . . 1.0 111.613 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.83 148.6 24.11 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 112.103 -2.317 . . . . 1.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.06 113.28 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m -72.68 177.53 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.949 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' CD1' ' HA2' ' A' ' 21' ' ' GLY . 23.3 m-85 -110.55 -152.95 0.51 Allowed 'General case' 0 N--CA 1.407 -2.619 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' O ' ' HB2' ' A' ' 33' ' ' CYS . . . -85.88 27.15 5.55 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.097 -1.049 . . . . 1.0 110.678 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 52.4 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.205 -0.903 . . . . 1.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.825 0.345 . . . . 1.0 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.412 ' CZ ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.37 153.56 22.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.851 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.35 78.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 37.33 77.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.262 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -84.94 -36.17 21.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.092 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 13.9 ttt85 -42.76 -63.05 0.85 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.501 . . . . 1.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.65 -37.53 68.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.398 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -58.22 -41.25 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.41 -41.36 13.57 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.485 0.66 . . . . 1.0 109.6 178.519 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.11 -54.92 24.61 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.893 -1.049 . . . . 1.0 109.839 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 p -48.55 -30.07 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.543 -1.208 . . . . 1.0 110.553 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.12 -46.56 28.22 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -53.96 -42.94 69.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.399 -0.818 . . . . 1.0 110.363 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -79.75 -54.82 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.676 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.1 t -61.37 -66.3 0.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.552 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' CYS . 3.9 mm? -132.78 110.86 10.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.954 0.407 . . . . 1.0 111.474 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.66 -22.24 0.24 Allowed Glycine 0 CA--C 1.481 -2.058 0 CA-C-O 118.865 -0.964 . . . . 1.0 114.544 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.5 m -73.25 97.35 2.43 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 115.786 -2.366 . . . . 1.0 110.081 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 93.96 0.05 Allowed 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 110.54 -3.027 . . . . 1.0 111.655 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 179.53 150.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.466 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.0 -154.88 25.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.816 -0.707 . . . . 1.0 113.114 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.81 145.18 4.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.851 -0.674 . . . . 1.0 111.283 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -102.12 153.78 19.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.67 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.84 169.7 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-O 122.238 1.018 . . . . 1.0 109.977 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.532 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.5 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.934 0 CA-C-N 112.116 -2.311 . . . . 1.0 112.538 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ILE . 31.7 t70 -138.19 11.25 2.81 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 108.936 -3.632 . . . . 1.0 108.942 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.67 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 17.9 tttt -104.96 170.32 7.94 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 122.792 1.282 . . . . 1.0 111.628 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -175.78 131.09 0.26 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 112.223 -2.262 . . . . 1.0 110.731 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -171.85 146.75 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.173 0.511 . . . . 1.0 111.506 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 59.1 m -60.88 170.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.487 -0.778 . . . . 1.0 110.462 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.85 29.11 1.4 Allowed 'General case' 0 N--CA 1.416 -2.161 0 CA-C-O 120.803 0.335 . . . . 1.0 111.461 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.98 16.96 54.06 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.405 -0.902 . . . . 1.0 111.705 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.773 -179.716 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.765 0.316 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.421 ' CE1' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.32 154.48 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.935 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.47 81.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 48.45 81.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -70.58 -61.59 1.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.151 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.521 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.88 -62.6 0.97 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.08 0.467 . . . . 1.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -42.23 41.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.058 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.06 -48.46 73.44 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.481 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -44.15 -41.72 5.87 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.375 178.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -56.37 19.47 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.676 -1.147 . . . . 1.0 109.874 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -59.2 -23.85 62.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.722 -1.126 . . . . 1.0 110.609 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -38.47 64.7 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.328 0.585 . . . . 1.0 109.746 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.3 39.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.092 -0.958 . . . . 1.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.42 -66.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.884 0.373 . . . . 1.0 110.543 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -48.73 78.76 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.41 -168.09 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.1 -9.11 7.53 Favored Glycine 0 CA--C 1.477 -2.328 0 C-N-CA 120.663 -0.779 . . . . 1.0 113.591 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.1 m -83.55 97.4 9.02 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 116.374 -2.13 . . . . 1.0 109.456 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.62 -29.81 0.81 Allowed 'General case' 0 C--N 1.275 -2.646 0 CA-C-N 110.757 -2.929 . . . . 1.0 111.66 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp -80.92 156.5 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.094 0.473 . . . . 1.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.47 -155.19 24.52 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.663 -0.699 . . . . 1.0 113.066 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -159.03 144.73 16.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.924 -0.638 . . . . 1.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.0 t -102.96 154.59 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -135.13 172.08 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 122.321 1.057 . . . . 1.0 110.047 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.16 -66.3 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.9 -2.409 . . . . 1.0 112.136 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.3 m-20 -139.16 11.61 2.6 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 108.99 -3.605 . . . . 1.0 108.96 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 12.6 tttt -105.37 170.5 7.84 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.872 1.32 . . . . 1.0 111.798 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 t -170.09 128.24 0.88 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 112.074 -2.33 . . . . 1.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -157.18 145.46 19.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 1.0 111.438 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.3 m -67.78 175.3 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.748 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -84.22 0.37 Allowed 'General case' 0 N--CA 1.415 -2.177 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.769 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.41 -19.38 57.57 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.759 -0.734 . . . . 1.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.37 -0.824 . . . . 1.0 111.241 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.816 0.341 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.47 154.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.15 83.35 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 43.01 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -68.5 -54.95 13.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.189 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 22.2 mtm180 -42.33 -61.66 1.14 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.176 0.513 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mmm -50.84 -42.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.086 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -56.24 -45.4 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.563 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.25 -40.9 12.22 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.494 -0.776 . . . . 1.0 109.889 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.88 -55.01 22.68 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.83 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.02 -31.47 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.629 -1.168 . . . . 1.0 110.413 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -77.25 -39.23 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.631 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -71.45 -35.93 71.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.934 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.18 -47.84 17.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.476 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.8 t -55.13 -63.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.65 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -166.07 -172.2 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.478 0.547 . . . . 1.0 112.478 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.17 54.43 1.85 Allowed Glycine 0 CA--C 1.469 -2.833 0 CA-C-N 115.767 -0.651 . . . . 1.0 113.128 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 63.6 m -108.54 96.08 6.1 Favored 'General case' 0 N--CA 1.41 -2.434 0 CA-C-O 124.129 1.919 . . . . 1.0 109.409 174.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.4 27.41 Favored 'General case' 0 C--N 1.259 -3.36 0 CA-C-N 109.901 -3.318 . . . . 1.0 111.998 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.54 160.61 40.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.716 0.77 . . . . 1.0 112.271 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . -169.74 -156.1 10.64 Favored Glycine 0 N--CA 1.425 -2.1 0 CA-C-N 114.61 -1.177 . . . . 1.0 113.02 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -160.97 145.49 13.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.024 -0.588 . . . . 1.0 111.774 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.4 t -108.21 153.51 23.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.749 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -136.15 171.74 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 CA-C-O 122.364 1.078 . . . . 1.0 110.196 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -9.77 -66.29 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.926 -2.397 . . . . 1.0 112.181 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -138.62 11.4 2.71 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 108.987 -3.606 . . . . 1.0 109.011 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 14.1 tttm -104.7 170.31 7.95 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-O 122.855 1.312 . . . . 1.0 111.751 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 38.2 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 112.1 -2.318 . . . . 1.0 110.523 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.17 144.18 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.086 0.469 . . . . 1.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 44.8 m -66.16 171.35 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' C ' ' H ' ' A' ' 33' ' ' CYS . 3.7 m-85 -167.44 154.36 8.4 Favored 'General case' 0 N--CA 1.415 -2.222 0 CA-C-O 120.711 0.291 . . . . 1.0 111.102 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 -33.02 0.31 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.384 -0.913 . . . . 1.0 112.986 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' H ' ' C ' ' A' ' 31' ' ' TYR . 31.3 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.213 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.793 0.33 . . . . 1.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.33 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 79.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 46.11 81.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -76.91 -49.98 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.34 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -42.36 -63.02 0.82 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.209 0.528 . . . . 1.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -40.02 63.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.269 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -43.77 77.67 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.814 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -47.72 -41.5 23.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.836 178.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -53.19 32.4 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.898 -1.046 . . . . 1.0 110.001 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -46.97 -36.16 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.475 -1.239 . . . . 1.0 110.406 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -44.0 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.462 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 12.7 ttm180 -60.49 -48.57 81.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.838 -1.074 . . . . 1.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -71.58 -54.71 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.0 t -53.59 -50.29 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.366 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -139.08 -79.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.333 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 13' ' ' ARG . . . 146.89 -9.88 1.36 Allowed Glycine 0 CA--C 1.477 -2.296 0 C-N-CA 120.677 -0.773 . . . . 1.0 113.617 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 75.7 m -80.49 97.12 6.99 Favored 'General case' 0 N--CA 1.421 -1.909 0 C-N-CA 116.254 -2.179 . . . . 1.0 109.782 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.57 86.8 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.704 0 CA-C-N 110.86 -2.882 . . . . 1.0 111.407 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tp -178.6 133.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.709 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 171.2 -155.32 24.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.072 -0.585 . . . . 1.0 113.144 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -169.1 147.33 3.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -0.647 . . . . 1.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.1 t -102.58 153.48 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.688 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -137.45 170.04 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-O 122.299 1.047 . . . . 1.0 110.109 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.83 -65.85 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.944 0 CA-C-N 112.064 -2.334 . . . . 1.0 112.552 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.8 m-20 -137.05 10.66 3.06 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 109.009 -3.595 . . . . 1.0 108.982 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.688 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.9 ttpp -102.42 170.01 8.32 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 122.898 1.332 . . . . 1.0 111.777 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 48.8 t -176.77 125.48 0.16 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 112.035 -2.348 . . . . 1.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 149.04 1.08 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.306 0.574 . . . . 1.0 111.567 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.524 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.2 m -58.06 166.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.184 -0.917 . . . . 1.0 110.192 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.87 -81.91 0.36 Allowed 'General case' 0 N--CA 1.415 -2.18 0 CA-C-O 121.183 0.516 . . . . 1.0 111.18 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.35 15.36 3.44 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.459 -0.792 . . . . 1.0 111.397 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 18' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.434 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.848 0.356 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.86 154.51 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.78 82.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 54.12 81.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.62 -67.01 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.285 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.96 -60.2 1.48 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.025 0.44 . . . . 1.0 110.597 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpp -52.34 -43.14 64.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -56.88 -42.38 79.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -48.09 -41.41 26.16 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.456 0.646 . . . . 1.0 109.628 178.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -53.29 31.86 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.876 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -47.43 -34.31 7.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.424 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -72.68 -46.05 55.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.53 -46.8 83.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.118 -0.947 . . . . 1.0 110.49 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -54.26 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.534 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.5 t -57.8 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.74 -82.75 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.188 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 145.7 -2.47 1.06 Allowed Glycine 0 CA--C 1.476 -2.397 0 CA-C-O 119.024 -0.875 . . . . 1.0 114.114 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.6 m -88.49 97.96 11.37 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 116.248 -2.181 . . . . 1.0 109.837 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' N ' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -48.38 83.01 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 110.595 -3.002 . . . . 1.0 111.973 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 173.8 149.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.795 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 167.98 -154.78 25.06 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.942 -0.647 . . . . 1.0 113.003 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.49 144.59 22.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.956 -0.622 . . . . 1.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 8.2 t -106.01 153.29 22.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.788 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.99 169.38 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 122.236 1.017 . . . . 1.0 109.865 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.25 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.878 0 CA-C-N 112.144 -2.298 . . . . 1.0 112.492 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' ILE . 23.5 t0 -138.92 11.65 2.65 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 108.88 -3.66 . . . . 1.0 108.907 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.1 ttmt -105.86 170.43 7.91 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 122.797 1.284 . . . . 1.0 111.532 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -173.71 134.95 0.5 Allowed 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 112.238 -2.256 . . . . 1.0 110.938 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -168.18 146.2 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 1.0 111.222 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 29.4 m -58.95 167.46 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.421 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -86.14 0.05 OUTLIER 'General case' 0 N--CA 1.424 -1.74 0 CA-C-O 121.025 0.441 . . . . 1.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.19 7.72 54.77 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.206 -0.902 . . . . 1.0 110.948 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.43 149.26 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 80.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.56 80.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -80.87 -52.53 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.42 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -43.05 -62.5 1.02 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.096 0.474 . . . . 1.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.8 ptp -55.97 -37.14 68.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.309 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.24 -41.74 80.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.662 -0.496 . . . . 1.0 109.662 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -46.89 -41.5 15.96 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.742 -0.663 . . . . 1.0 109.85 178.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.48 -54.0 31.51 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.949 179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -47.96 -34.5 9.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.589 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -75.04 -43.48 53.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.38 0.61 . . . . 1.0 109.53 179.038 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -61.89 -46.11 90.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.066 -0.97 . . . . 1.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -72.38 -53.59 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.585 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -55.15 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -139.38 -77.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.352 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 140.21 7.01 0.98 Allowed Glycine 0 CA--C 1.478 -2.235 0 C-N-CA 120.676 -0.773 . . . . 1.0 114.041 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 39.4 m -86.69 97.3 10.5 Favored 'General case' 0 N--CA 1.421 -1.895 0 C-N-CA 116.625 -2.03 . . . . 1.0 109.714 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.32 76.69 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.703 0 CA-C-N 110.482 -3.054 . . . . 1.0 111.794 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 9.6 tp 179.4 140.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.22 -154.82 24.59 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 121.056 -0.593 . . . . 1.0 112.952 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -157.15 141.96 16.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.974 -0.613 . . . . 1.0 111.208 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 52.4 t -103.78 153.79 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.795 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.699 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -136.62 169.92 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-O 122.256 1.027 . . . . 1.0 110.057 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.72 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.919 0 CA-C-N 112.105 -2.316 . . . . 1.0 112.576 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.9 m-20 -137.62 10.97 2.94 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 108.903 -3.648 . . . . 1.0 108.993 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.699 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -104.54 170.02 8.13 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.769 1.271 . . . . 1.0 111.521 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -177.64 132.87 0.16 Allowed 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 112.227 -2.26 . . . . 1.0 110.755 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -169.1 144.14 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.05 0.452 . . . . 1.0 111.634 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.47 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.9 m -70.58 174.27 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.483 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 1.9 m-85 -82.75 47.88 1.26 Allowed 'General case' 0 N--CA 1.422 -1.83 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.59 13.6 31.85 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.309 -0.948 . . . . 1.0 111.685 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 18' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.809 0.337 . . . . 1.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.442 ' CE1' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -176.33 153.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.09 81.86 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 52.72 82.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' CD2' ' CE1' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -72.26 -60.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.96 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.28 -60.89 1.32 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.979 0.418 . . . . 1.0 110.487 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 tpp -50.42 -43.69 54.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.013 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -45.71 75.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.612 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.3 -41.56 19.32 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.907 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.67 -53.61 29.72 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.872 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -46.98 -34.07 5.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.483 -1.235 . . . . 1.0 110.368 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -73.13 -46.52 50.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.39 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -57.03 -45.58 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.087 -0.961 . . . . 1.0 110.49 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -54.74 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.1 t -58.62 -64.7 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -119.18 -84.24 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.285 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 147.5 -6.09 1.04 Allowed Glycine 0 CA--C 1.474 -2.486 0 CA-C-O 119.042 -0.866 . . . . 1.0 114.064 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 m -86.65 98.06 10.91 Favored 'General case' 0 N--CA 1.42 -1.941 0 C-N-CA 116.153 -2.219 . . . . 1.0 109.77 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD2' ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.63 83.69 0.0 OUTLIER 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 110.657 -2.974 . . . . 1.0 112.154 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER 174.71 145.76 0.06 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.818 179.664 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.16 -154.89 25.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.913 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 143.96 16.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.958 -0.621 . . . . 1.0 111.292 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.0 t -105.64 153.54 21.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.564 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.2 mt -135.52 172.26 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.25 0 CA-C-O 122.403 1.097 . . . . 1.0 110.234 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.39 -66.24 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.837 0 CA-C-N 111.832 -2.44 . . . . 1.0 112.174 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ILE . 12.9 t70 -138.29 11.2 2.79 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.974 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 1.4 ttmm -103.92 170.06 8.14 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.856 1.312 . . . . 1.0 111.631 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.7 t -172.92 133.08 0.54 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 112.139 -2.301 . . . . 1.0 110.692 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -169.89 146.42 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 1.0 111.325 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 36.6 m -59.46 168.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.47 -0.787 . . . . 1.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 2.5 m-85 -76.98 -83.24 0.07 Allowed 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 121.09 0.471 . . . . 1.0 110.607 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.4 8.05 37.51 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.121 -0.943 . . . . 1.0 111.016 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 61.45 154.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.47 77.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 37.27 76.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.253 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 2' ' ' PHE . 0.4 OUTLIER -81.75 -42.98 19.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.283 -0.871 . . . . 1.0 111.201 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.4 tmm_? -41.75 -59.87 1.53 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.41 -45.02 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.822 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -44.54 84.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.65 -40.46 13.16 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.341 -0.845 . . . . 1.0 109.762 178.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -55.07 22.82 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.784 -1.098 . . . . 1.0 109.905 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -50.4 -34.98 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.356 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.602 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.97 -40.99 60.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.417 178.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.2 -58.02 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.81 -1.087 . . . . 1.0 110.586 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -58.42 -50.84 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 11' ' ' SER . 45.1 t -56.19 -62.55 1.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.3 mt -144.54 -163.12 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 1.0 111.391 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.57 44.3 1.52 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.968 -0.634 . . . . 1.0 112.009 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 20' ' ' LEU . 40.9 t -126.41 27.78 6.11 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 125.488 2.565 . . . . 1.0 110.662 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.602 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -14.91 -43.59 0.0 OUTLIER 'General case' 1 C--N 1.225 -4.842 1 CA-C-N 106.416 -4.902 . . . . 1.0 113.976 -179.869 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.4 mm? -43.09 156.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.105 0.479 . . . . 1.0 111.604 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 170.42 -155.62 25.35 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.991 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -176.02 145.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.028 -0.586 . . . . 1.0 111.662 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.7 t -104.3 153.65 20.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.73 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.565 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -135.01 172.17 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.244 0 CA-C-O 122.34 1.067 . . . . 1.0 110.208 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.523 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.28 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.859 0 CA-C-N 111.924 -2.398 . . . . 1.0 112.138 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.7 t0 -138.87 11.48 2.66 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 109.051 -3.574 . . . . 1.0 108.904 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 3.4 ttpt -104.88 170.3 7.95 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-O 122.83 1.3 . . . . 1.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.28 132.86 0.81 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 112.183 -2.281 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.17 144.85 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.472 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 76.3 m -63.69 -177.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.511 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.52 61.29 0.93 Allowed 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 121.078 0.466 . . . . 1.0 109.945 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.94 7.65 56.44 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.157 -1.02 . . . . 1.0 111.021 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.229 -0.891 . . . . 1.0 110.827 -179.761 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.761 0.315 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -132.62 147.66 52.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.833 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 33.99 78.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.78 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 41.82 80.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.7 -57.5 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.152 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.9 tmm_? -42.04 -61.37 1.16 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.112 0.482 . . . . 1.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.38 -43.52 54.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.0 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.62 -45.84 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.4 mt-30 -46.57 -41.28 14.19 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.496 -0.774 . . . . 1.0 109.845 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -54.59 26.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.921 -1.036 . . . . 1.0 109.853 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 41.0 t -47.08 -34.1 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.532 -1.213 . . . . 1.0 110.342 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.54 -44.23 29.31 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 178.331 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -55.09 -42.73 73.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.062 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -80.14 -55.32 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.416 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' SER . 27.3 t -61.21 -66.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.486 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.31 -86.56 0.64 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.545 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 154.27 6.95 0.09 OUTLIER Glycine 0 CA--C 1.481 -2.058 0 C-N-CA 120.306 -0.949 . . . . 1.0 114.667 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -89.31 96.9 10.91 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 116.559 -2.057 . . . . 1.0 109.94 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.34 -28.09 1.23 Allowed 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 110.618 -2.992 . . . . 1.0 112.053 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 156.57 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 1.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.92 -155.31 25.07 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.548 -0.751 . . . . 1.0 113.035 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.416 ' HE3' ' CZ ' ' A' ' 2' ' ' PHE . 8.9 mmmm -151.73 142.81 23.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.944 -0.628 . . . . 1.0 111.173 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 17.7 t -110.1 152.8 25.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.871 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.76 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.4 mp -135.97 169.6 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 CA-C-O 122.069 0.937 . . . . 1.0 109.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -7.15 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.055 0 CA-C-N 112.349 -2.205 . . . . 1.0 112.314 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.6 m-20 -140.81 11.79 2.25 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 108.656 -3.772 . . . . 1.0 109.25 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.76 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.82 170.59 7.81 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.862 1.315 . . . . 1.0 111.74 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.46 134.68 4.02 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 112.038 -2.346 . . . . 1.0 110.648 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 130.18 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 1.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -70.72 168.47 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.632 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -81.78 -83.48 0.12 Allowed 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 120.921 0.391 . . . . 1.0 111.014 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.05 -6.15 82.04 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.557 -0.83 . . . . 1.0 111.858 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 86.8 m . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.958 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.821 0.343 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -138.48 153.24 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.08 77.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.512 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 42.25 78.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 1.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.73 -67.18 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.137 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.78 -58.63 1.93 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.899 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -50.07 -46.05 53.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -44.55 80.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.38 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.97 -40.86 23.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.808 178.738 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.18 -53.46 34.66 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 114.824 -1.08 . . . . 1.0 110.039 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 20.8 p -47.87 -36.64 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.603 -1.181 . . . . 1.0 110.484 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.31 -40.75 43.21 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.656 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.72 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.322 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -73.17 -55.71 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 31.2 t -55.94 -46.05 78.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.24 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.15 -88.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.458 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 159.19 44.68 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.559 0 C-N-CA 120.636 -0.792 . . . . 1.0 113.597 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.93 95.76 5.74 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-O 124.28 1.99 . . . . 1.0 110.236 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.571 ' CD2' ' H ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.0 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.267 -3.011 0 CA-C-N 109.655 -3.43 . . . . 1.0 112.287 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CB ' ' HA3' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -58.25 157.35 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 1.0 111.438 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 173.83 -155.69 22.38 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 115.445 -0.798 . . . . 1.0 113.26 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -151.73 141.04 21.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.887 -0.656 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 44.1 t -107.69 154.35 21.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.046 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.558 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mm -133.5 172.1 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.322 0 CA-C-O 122.293 1.044 . . . . 1.0 109.99 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.07 -66.42 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.866 0 CA-C-N 112.015 -2.357 . . . . 1.0 111.91 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 p30 -140.4 12.24 2.35 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 109.001 -3.6 . . . . 1.0 108.939 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 32.4 tttt -105.65 170.45 7.88 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 122.911 1.339 . . . . 1.0 111.88 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.78 133.06 9.84 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.075 -2.33 . . . . 1.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 129.88 14.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.981 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 8.9 m -79.84 168.46 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.469 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -156.03 -47.03 0.08 Allowed 'General case' 0 N--CA 1.415 -2.189 0 CA-C-O 120.907 0.384 . . . . 1.0 111.867 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' HA3' ' CB ' ' A' ' 20' ' ' LEU . . . -42.47 -28.95 0.64 Allowed Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.889 -0.596 . . . . 1.0 113.295 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.679 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.823 0.344 . . . . 1.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.63 149.26 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.56 78.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 41.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -78.45 -60.37 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.062 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 37.1 mtm180 -42.18 -61.13 1.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.45 . . . . 1.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.35 -44.31 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.84 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -54.87 -47.52 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.43 178.602 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.1 mt-30 -46.12 -41.18 12.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.113 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.99 -54.54 28.59 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.93 -1.032 . . . . 1.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.1 p -48.98 -36.04 16.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.59 -1.186 . . . . 1.0 110.625 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -78.31 -39.12 40.66 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.51 0.672 . . . . 1.0 109.196 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.85 -47.79 84.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.905 -1.043 . . . . 1.0 110.086 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -73.39 -55.08 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.133 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 11' ' ' SER . 33.2 t -56.13 -58.85 6.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.142 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -133.65 -89.24 0.39 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.563 -0.289 . . . . 1.0 111.431 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 163.07 38.26 0.02 OUTLIER Glycine 0 CA--C 1.475 -2.414 0 C-N-CA 120.679 -0.772 . . . . 1.0 113.824 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 33' ' ' CYS . 30.4 m -105.79 95.91 6.12 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 124.255 1.979 . . . . 1.0 110.049 174.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -46.53 76.44 Favored 'General case' 0 C--N 1.266 -3.023 0 CA-C-N 109.664 -3.426 . . . . 1.0 112.332 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.3 154.33 21.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.128 0.49 . . . . 1.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 176.35 -155.27 18.61 Favored Glycine 0 N--CA 1.434 -1.468 0 CA-C-N 115.745 -0.662 . . . . 1.0 113.403 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -147.97 142.01 25.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.845 -0.678 . . . . 1.0 111.161 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -113.53 152.73 29.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.56 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mt -137.06 172.08 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.212 0 CA-C-O 122.359 1.076 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.518 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.05 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.925 0 CA-C-N 111.857 -2.428 . . . . 1.0 112.211 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.5 p30 -138.23 11.11 2.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 109.039 -3.58 . . . . 1.0 109.009 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 1.3 ttmt -102.32 169.93 8.39 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 122.906 1.336 . . . . 1.0 111.836 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -169.25 132.12 1.26 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 112.081 -2.327 . . . . 1.0 110.555 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -160.31 130.55 5.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.914 0.388 . . . . 1.0 111.28 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.532 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.7 m -77.66 161.57 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.157 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 40.6 m-85 -158.9 118.52 3.09 Favored 'General case' 0 N--CA 1.415 -2.224 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.98 -39.03 3.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.58 -0.819 . . . . 1.0 113.136 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 1.6 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.73 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.822 0.344 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.37 149.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.66 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.069 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.33 82.43 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -73.46 -63.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.243 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.543 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 24.8 ttt180 -42.81 -62.95 0.87 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.146 0.498 . . . . 1.0 110.095 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.6 tpp -52.07 -40.25 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.316 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -45.22 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.543 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -45.7 -41.4 10.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.857 178.77 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.49 -55.01 24.92 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.895 -1.048 . . . . 1.0 109.963 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 38.4 m -50.18 -29.3 9.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.581 -1.191 . . . . 1.0 110.535 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -79.16 -43.47 23.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 178.683 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.41 -38.52 71.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.114 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -55.32 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.806 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.3 t -62.68 -68.09 0.36 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.575 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.6 mt -153.3 134.29 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.264 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.27 51.22 2.48 Favored Glycine 0 CA--C 1.479 -2.194 0 N-CA-C 114.724 0.649 . . . . 1.0 114.724 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -117.64 95.48 4.96 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 123.938 1.828 . . . . 1.0 109.725 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.85 -33.46 0.08 Allowed 'General case' 0 C--N 1.269 -2.912 0 CA-C-N 109.977 -3.283 . . . . 1.0 112.191 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -76.69 156.36 32.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.169 0.509 . . . . 1.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 165.27 -154.51 25.3 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.535 -0.757 . . . . 1.0 112.638 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -158.52 142.42 15.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.081 -0.559 . . . . 1.0 111.67 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 18.0 t -117.62 146.43 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.701 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.671 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -138.56 171.21 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.974 0 CA-C-O 122.621 1.201 . . . . 1.0 110.441 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.549 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -11.61 -65.1 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.81 0 CA-C-N 111.745 -2.479 . . . . 1.0 113.261 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -130.69 7.63 4.83 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-N 109.513 -3.343 . . . . 1.0 108.882 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.671 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -94.41 169.84 9.92 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.84 1.305 . . . . 1.0 111.717 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.9 t 176.74 121.27 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.062 -2.335 . . . . 1.0 110.611 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 142.53 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 5.5 m -63.46 -163.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.944 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -133.49 29.74 3.89 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 120.846 0.355 . . . . 1.0 111.73 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.95 32.25 1.4 Allowed Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.198 -0.525 . . . . 1.0 113.135 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 66.8 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.845 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.866 0.365 . . . . 1.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.411 ' CZ ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -140.45 153.6 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.909 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.34 80.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 45.63 80.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 HD13 ' CZ ' ' A' ' 2' ' ' PHE . 1.2 tt -75.59 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -41.64 -60.43 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.087 0.47 . . . . 1.0 110.585 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 ttt -50.57 -44.67 56.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.965 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -55.37 -44.89 76.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.53 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -47.5 -41.92 21.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.882 178.806 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.76 -53.2 33.69 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.935 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.0 t -49.9 -28.3 6.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.817 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -46.82 57.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.239 0.542 . . . . 1.0 110.064 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -44.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -53.29 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t -58.09 -64.47 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.52 -83.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.17 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.32 -20.16 0.83 Allowed Glycine 0 CA--C 1.478 -2.261 0 CA-C-O 119.021 -0.877 . . . . 1.0 113.64 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 m -76.77 97.46 4.51 Favored 'General case' 0 N--CA 1.423 -1.815 0 C-N-CA 115.9 -2.32 . . . . 1.0 109.767 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.99 87.38 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 110.733 -2.94 . . . . 1.0 111.422 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.37 150.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 164.24 -154.87 25.96 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.802 -0.714 . . . . 1.0 113.058 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -167.53 142.93 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.812 -0.694 . . . . 1.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -100.89 154.52 18.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -135.52 169.49 20.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 CA-C-O 122.151 0.977 . . . . 1.0 109.878 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.527 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.12 -66.02 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 112.197 -2.274 . . . . 1.0 112.419 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 7.2 t70 -138.9 11.55 2.65 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 108.837 -3.681 . . . . 1.0 108.975 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.1 ttmt -104.69 170.31 7.95 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 122.865 1.317 . . . . 1.0 111.778 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -171.48 128.97 0.68 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 112.103 -2.317 . . . . 1.0 110.57 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -163.16 143.72 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 1.0 111.279 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 65.8 m -68.49 171.15 7.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 9.3 m-85 -83.2 54.76 2.89 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.032 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.6 -5.42 81.57 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 1.0 112.006 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 35.9 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.231 -0.89 . . . . 1.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 1.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.418 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -87.52 149.24 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.57 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 48.74 82.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tm? -73.4 -66.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.64 -61.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.086 0.47 . . . . 1.0 110.418 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttm -51.45 -41.6 60.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.321 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -56.09 -45.25 79.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 178.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.555 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -45.63 -41.32 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.813 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -55.11 25.03 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.995 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.478 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -79.22 -42.52 25.79 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -56.55 -40.75 75.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -82.29 -54.84 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.446 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.8 t -61.59 -67.1 0.44 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.4 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.47 137.07 9.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.834 0.349 . . . . 1.0 111.3 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 53.15 1.75 Allowed Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 114.664 0.626 . . . . 1.0 114.664 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HB3' ' HA ' ' A' ' 33' ' ' CYS . 56.6 m -117.05 95.42 4.99 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 123.825 1.774 . . . . 1.0 109.409 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.88 -27.8 0.57 Allowed 'General case' 0 C--N 1.26 -3.313 0 CA-C-N 110.362 -3.108 . . . . 1.0 111.615 178.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.8 tp -76.84 153.69 34.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.446 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 160.39 -154.23 25.23 Favored Glycine 0 CA--C 1.503 -0.662 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.434 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -161.18 145.52 13.45 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.212 0.53 . . . . 1.0 111.879 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 16.0 t -117.61 145.79 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.591 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.684 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.09 171.3 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 CA-C-O 122.56 1.172 . . . . 1.0 110.403 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.549 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -11.5 -65.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 111.698 -2.501 . . . . 1.0 113.225 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.06 7.77 4.69 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 109.466 -3.367 . . . . 1.0 108.876 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.684 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.0 tttp -95.55 169.68 9.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 122.825 1.298 . . . . 1.0 111.609 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 43.9 t 174.31 124.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 112.041 -2.345 . . . . 1.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.92 142.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 1.0 111.454 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.0 m -67.54 -173.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.9 OUTLIER -145.28 -97.64 0.1 Allowed 'General case' 0 N--CA 1.42 -1.955 0 N-CA-C 112.556 0.576 . . . . 1.0 112.556 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -125.79 36.69 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.26 -0.971 . . . . 1.0 113.067 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 1.8 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.255 -0.878 . . . . 1.0 110.775 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 1.0 111.065 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.34 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 79.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.7 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 44.73 79.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.729 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.14 -50.45 16.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.644 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.6 ttp85 -43.78 -64.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.1 0.476 . . . . 1.0 110.276 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.9 ptm -53.21 -37.1 61.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.291 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -56.45 -45.92 80.57 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -43.99 -41.52 5.43 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.46 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.86 -57.17 11.9 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 114.737 -1.12 . . . . 1.0 109.697 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -26.44 60.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.588 -1.187 . . . . 1.0 110.371 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -76.19 -39.74 54.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -65.68 -51.85 56.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.957 -1.019 . . . . 1.0 110.164 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.19 -50.3 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.954 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -55.24 -60.48 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.543 . . . . 1.0 111.125 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mt -153.47 131.76 11.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 1.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.25 -25.48 0.15 Allowed Glycine 0 CA--C 1.479 -2.194 0 CA-C-O 118.877 -0.957 . . . . 1.0 114.435 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 33' ' ' CYS . 35.2 m -74.01 97.79 2.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.639 -2.424 . . . . 1.0 109.833 177.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.16 -29.26 30.43 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-N 110.579 -3.009 . . . . 1.0 111.933 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 150.51 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.31 -155.22 25.73 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.873 -0.679 . . . . 1.0 113.241 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.27 145.86 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.852 -0.674 . . . . 1.0 111.221 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.3 t -101.92 153.55 19.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.746 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.693 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -136.8 169.93 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 122.261 1.029 . . . . 1.0 110.102 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.529 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.65 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.938 0 CA-C-N 112.038 -2.346 . . . . 1.0 112.57 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.4 p30 -137.49 10.9 2.96 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 108.977 -3.611 . . . . 1.0 108.97 178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.693 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.3 tttt -103.2 170.11 8.15 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 122.853 1.311 . . . . 1.0 111.779 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.1 t -176.33 125.76 0.19 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 112.131 -2.304 . . . . 1.0 110.641 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -172.17 147.53 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.187 0.518 . . . . 1.0 111.468 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 79.1 m -60.31 173.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.542 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.16 45.04 1.18 Allowed 'General case' 0 N--CA 1.42 -1.969 0 CA-C-O 120.796 0.332 . . . . 1.0 111.339 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.62 17.08 32.45 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.355 -0.926 . . . . 1.0 111.7 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.414 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.797 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.793 0.33 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 63.16 140.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.25 94.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.39 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m120 47.59 81.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -75.39 -67.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.23 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.573 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -41.98 -60.97 1.24 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.139 0.495 . . . . 1.0 110.602 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.9 ttm -51.99 -42.69 63.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.296 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -56.91 -43.36 81.3 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.573 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -46.19 -41.7 13.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.687 178.528 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.79 -55.08 21.96 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.708 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -53.56 -27.25 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.505 -1.225 . . . . 1.0 110.375 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -77.49 -42.6 35.16 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.959 -0.756 . . . . 1.0 108.959 178.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -42.49 88.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.21 -0.905 . . . . 1.0 110.034 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -78.34 -53.29 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -60.23 -66.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.211 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -161.96 135.84 6.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.984 0.421 . . . . 1.0 111.258 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.37 55.35 0.64 Allowed Glycine 0 CA--C 1.481 -2.06 0 N-CA-C 115.103 0.801 . . . . 1.0 115.103 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' HB2' ' OXT' ' A' ' 33' ' ' CYS . 44.8 m -114.61 95.39 5.22 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-O 123.878 1.799 . . . . 1.0 109.528 173.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.42 -30.57 0.34 Allowed 'General case' 0 C--N 1.269 -2.913 0 CA-C-N 110.108 -3.224 . . . . 1.0 111.629 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.446 ' HB3' ' CG ' ' A' ' 31' ' ' TYR . 3.2 mm? -75.14 158.31 33.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 1.0 111.224 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.55 -155.61 25.86 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.284 -0.871 . . . . 1.0 112.577 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -176.22 145.6 0.62 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.128 -0.536 . . . . 1.0 111.755 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.59 151.71 24.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.267 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mp -135.91 169.63 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 CA-C-O 122.125 0.964 . . . . 1.0 110.194 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -7.28 -66.15 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.087 0 CA-C-N 112.249 -2.25 . . . . 1.0 112.503 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.6 t0 -139.72 11.41 2.47 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 108.716 -3.742 . . . . 1.0 109.184 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.3 ttmt -105.98 170.61 7.8 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 122.872 1.32 . . . . 1.0 111.404 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -170.86 135.2 1.05 Allowed 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 112.095 -2.321 . . . . 1.0 110.71 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.99 144.97 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.073 0.463 . . . . 1.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 10.8 m -62.85 -173.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.54 58.44 3.2 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-O 121.117 0.484 . . . . 1.0 110.668 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.99 -4.27 76.38 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.452 -0.88 . . . . 1.0 111.788 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.4 ' OXT' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.156 -0.926 . . . . 1.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 1.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.449 ' CE1' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER 61.45 153.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.31 81.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 53.25 82.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.449 ' CD2' ' CE1' ' A' ' 2' ' ' PHE . 0.6 OUTLIER -71.42 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.031 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 1.2 mpt_? -42.14 -61.94 1.05 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.143 0.497 . . . . 1.0 110.385 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.66 -42.8 57.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.137 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.11 -45.9 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 178.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -46.66 -41.7 15.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.93 178.787 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -53.84 32.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.912 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -34.83 8.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.514 -1.221 . . . . 1.0 110.518 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -44.3 56.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.791 -0.641 . . . . 1.0 109.543 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -60.59 -45.35 94.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.41 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -73.21 -54.02 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.3 t -57.07 -63.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.35 -84.65 0.66 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.11 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.81 -31.75 0.51 Allowed Glycine 0 CA--C 1.476 -2.36 0 CA-C-O 118.885 -0.953 . . . . 1.0 113.606 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -74.07 97.51 2.9 Favored 'General case' 0 N--CA 1.422 -1.83 0 C-N-CA 115.654 -2.418 . . . . 1.0 109.946 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -54.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.116 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 tp 177.65 133.11 0.07 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.211 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 172.19 -154.8 22.29 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.134 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -150.31 143.33 24.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.928 -0.636 . . . . 1.0 111.2 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.9 t -105.21 153.75 21.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.561 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.2 mt -136.08 172.3 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.242 0 CA-C-O 122.451 1.119 . . . . 1.0 110.223 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.61 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.905 0 CA-C-N 111.798 -2.456 . . . . 1.0 112.286 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.1 t70 -137.67 10.87 2.92 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 109.119 -3.541 . . . . 1.0 108.94 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -104.44 170.11 8.09 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.84 1.305 . . . . 1.0 111.54 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.2 t -176.06 131.76 0.24 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 112.225 -2.262 . . . . 1.0 110.68 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.46 144.8 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.139 0.495 . . . . 1.0 111.634 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.485 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 11.3 m -67.48 172.81 4.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.258 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -82.82 0.13 Allowed 'General case' 0 N--CA 1.42 -1.969 0 CA-C-O 121.235 0.541 . . . . 1.0 110.769 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -121.45 10.06 9.94 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.343 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.202 -0.904 . . . . 1.0 110.901 -179.768 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.854 0.359 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.34 149.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 79.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.788 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 43.76 78.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -82.28 -49.72 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.517 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.42 -62.21 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.203 0.525 . . . . 1.0 110.577 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 ptm -54.26 -39.52 66.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.396 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.61 -42.21 82.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.595 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.3 -41.45 13.22 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.662 178.613 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.01 -54.96 23.66 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.817 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -48.49 -31.15 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.537 -1.21 . . . . 1.0 110.492 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.46 -45.59 30.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.52 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.02 -42.87 73.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.286 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -54.71 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.588 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 32.7 t -60.88 -66.16 0.58 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.461 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 mt -135.09 110.24 8.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 1.0 111.412 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.32 -22.43 0.21 Allowed Glycine 0 CA--C 1.48 -2.145 0 CA-C-O 118.862 -0.966 . . . . 1.0 114.568 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.2 m -73.55 97.37 2.59 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.817 -2.353 . . . . 1.0 110.133 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.44 105.62 0.54 Allowed 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.313 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER 168.94 151.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 162.42 -154.83 25.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.664 -0.779 . . . . 1.0 113.249 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -163.34 143.64 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.852 -0.674 . . . . 1.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -102.17 154.74 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.661 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.15 169.46 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 122.195 0.997 . . . . 1.0 109.831 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.536 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -8.22 -65.99 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.891 0 CA-C-N 112.2 -2.273 . . . . 1.0 112.502 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.8 p30 -138.94 11.57 2.64 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 108.816 -3.692 . . . . 1.0 108.968 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.661 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.9 tttm -105.91 170.51 7.86 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 122.829 1.299 . . . . 1.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -173.88 133.37 0.44 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 112.192 -2.276 . . . . 1.0 110.824 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 144.02 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.249 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 62.2 m -65.22 172.99 2.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.1 28.4 1.62 Allowed 'General case' 0 N--CA 1.416 -2.158 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.36 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.84 18.83 54.66 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.361 -0.924 . . . . 1.0 111.544 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.195 -0.907 . . . . 1.0 110.711 -179.631 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.421 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 61.13 156.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.64 82.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.86 80.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' HG ' ' CE1' ' A' ' 2' ' ' PHE . 1.2 tt -77.59 -66.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 2.5 ttm180 -41.89 -60.7 1.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.178 0.514 . . . . 1.0 110.669 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpp -51.29 -43.53 61.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.114 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.39 -44.31 80.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.566 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.5 -41.55 14.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.904 178.6 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.23 -54.62 24.01 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.805 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.447 ' O ' ' OG ' ' A' ' 15' ' ' SER . 73.3 m -51.46 -36.47 44.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.52 -1.218 . . . . 1.0 110.402 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -68.14 -42.72 79.73 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -70.07 -29.42 66.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.012 -0.995 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -77.34 -66.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.744 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.447 ' OG ' ' O ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -57.42 -63.56 1.19 Allowed 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.962 -179.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -120.09 -93.5 0.52 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.725 -0.216 . . . . 1.0 111.552 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 156.29 -10.48 0.31 Allowed Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 120.296 -0.954 . . . . 1.0 114.357 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.4 m -78.02 97.38 5.36 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 115.858 -2.337 . . . . 1.0 109.997 177.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -33.37 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 110.436 -3.075 . . . . 1.0 112.22 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' CD1' ' HB2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -56.36 152.61 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 1.0 111.056 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.14 -155.21 26.3 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.194 -0.526 . . . . 1.0 112.849 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -171.57 148.39 2.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.947 -0.626 . . . . 1.0 111.496 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 7.3 t -112.01 152.21 28.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.627 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.561 ' CG1' ' HB3' ' A' ' 27' ' ' LYS . 1.2 mt -136.06 172.01 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 CA-C-O 122.405 1.098 . . . . 1.0 110.318 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . . . -10.13 -66.19 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.928 0 CA-C-N 111.822 -2.444 . . . . 1.0 112.319 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' ILE . 32.4 p30 -138.13 11.14 2.82 Favored 'General case' 0 C--N 1.281 -2.399 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.971 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HB3' ' CG1' ' A' ' 24' ' ' ILE . 19.4 tttm -103.95 169.97 8.19 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.798 1.285 . . . . 1.0 111.582 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.8 t -173.72 133.35 0.46 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.165 -2.289 . . . . 1.0 110.626 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.14 143.43 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.055 0.455 . . . . 1.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.3 m -66.32 173.08 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.505 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -78.57 60.56 2.71 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-O 121.14 0.495 . . . . 1.0 110.408 -179.468 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.37 -4.56 76.88 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.444 -0.884 . . . . 1.0 111.495 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 1.3 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 1.0 110.774 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 120.908 0.385 . . . . 1.0 111.25 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 48.98 82.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -67.1 -62.66 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 29.1 ttt180 -43.15 -64.02 0.71 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.072 0.463 . . . . 1.0 110.018 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.56 43.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.252 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.69 -48.55 72.28 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -44.7 -41.28 6.64 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.254 -0.884 . . . . 1.0 109.723 178.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.23 -56.07 19.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.758 -1.11 . . . . 1.0 109.948 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.5 m -50.47 -32.34 17.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.366 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -78.7 -40.99 32.21 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 178.604 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.78 -41.17 86.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.921 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -54.97 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.458 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.4 t -62.03 -68.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.215 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.51 137.5 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.273 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.36 60.7 0.84 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 114.272 0.469 . . . . 1.0 114.272 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 58.8 m -114.24 93.67 4.46 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-O 124.375 2.036 . . . . 1.0 110.471 174.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.97 -32.57 0.09 Allowed 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 109.518 -3.492 . . . . 1.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.625 HD12 ' HD2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -100.19 154.88 18.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 1.0 111.201 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.99 -155.03 25.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.94 -0.648 . . . . 1.0 113.399 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CG ' ' OH ' ' A' ' 31' ' ' TYR . 2.4 mttp -131.74 145.7 51.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.823 -0.689 . . . . 1.0 111.516 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.5 151.12 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.772 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -136.4 167.82 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.002 0 CA-C-O 121.934 0.873 . . . . 1.0 109.606 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -7.27 -65.9 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.872 0 CA-C-O 124.488 2.16 . . . . 1.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 m-20 -141.77 13.15 2.09 Favored 'General case' 0 C--N 1.279 -2.472 0 CA-C-N 108.626 -3.787 . . . . 1.0 108.791 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.792 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.9 ttmt -107.99 170.86 7.74 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.915 1.34 . . . . 1.0 111.613 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.83 148.6 24.11 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 112.103 -2.317 . . . . 1.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.06 113.28 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m -72.68 177.53 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.949 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.625 ' HD2' HD12 ' A' ' 20' ' ' LEU . 23.3 m-85 . . . . . 0 N--CA 1.407 -2.619 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.013 0.435 . . . . 1.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 37.33 77.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.262 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.951 HD23 ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -84.94 -36.17 21.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.092 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.951 ' N ' HD23 ' A' ' 5' ' ' LEU . 13.9 ttt85 -42.76 -63.05 0.85 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.501 . . . . 1.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.65 -37.53 68.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.398 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -58.22 -41.25 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.41 -41.36 13.57 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.485 0.66 . . . . 1.0 109.6 178.519 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.11 -54.92 24.61 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.893 -1.049 . . . . 1.0 109.839 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 p -48.55 -30.07 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.543 -1.208 . . . . 1.0 110.553 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.12 -46.56 28.22 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -53.96 -42.94 69.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.399 -0.818 . . . . 1.0 110.363 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -79.75 -54.82 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.676 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.761 ' C ' HD22 ' A' ' 16' ' ' LEU . 23.1 t -61.37 -66.3 0.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.552 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 15' ' ' SER . 3.9 mm? -132.78 110.86 10.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.954 0.407 . . . . 1.0 111.474 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.66 -22.24 0.24 Allowed Glycine 0 CA--C 1.481 -2.058 0 CA-C-O 118.865 -0.964 . . . . 1.0 114.544 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.697 ' O ' HD23 ' A' ' 20' ' ' LEU . 43.5 m -73.25 97.35 2.43 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 115.786 -2.366 . . . . 1.0 110.081 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 93.96 0.05 Allowed 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 110.54 -3.027 . . . . 1.0 111.655 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER 179.53 150.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.466 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.0 -154.88 25.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.816 -0.707 . . . . 1.0 113.114 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.81 145.18 4.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.851 -0.674 . . . . 1.0 111.283 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -102.12 153.78 19.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.84 169.7 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-O 122.238 1.018 . . . . 1.0 109.977 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.5 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.934 0 CA-C-N 112.116 -2.311 . . . . 1.0 112.538 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ILE . 31.7 t70 -138.19 11.25 2.81 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 108.936 -3.632 . . . . 1.0 108.942 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 17.9 tttt -104.96 170.32 7.94 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 122.792 1.282 . . . . 1.0 111.628 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -175.78 131.09 0.26 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 112.223 -2.262 . . . . 1.0 110.731 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -171.85 146.75 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.173 0.511 . . . . 1.0 111.506 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 59.1 m -60.88 170.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.487 -0.778 . . . . 1.0 110.462 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.416 -2.161 0 CA-C-O 120.803 0.335 . . . . 1.0 111.461 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.016 0.436 . . . . 1.0 110.82 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 48.45 81.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -70.58 -61.59 1.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.151 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.88 -62.6 0.97 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.08 0.467 . . . . 1.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -42.23 41.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.058 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.06 -48.46 73.44 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.481 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -44.15 -41.72 5.87 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.375 178.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -56.37 19.47 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.676 -1.147 . . . . 1.0 109.874 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -59.2 -23.85 62.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.722 -1.126 . . . . 1.0 110.609 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -38.47 64.7 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.328 0.585 . . . . 1.0 109.746 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.3 39.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.092 -0.958 . . . . 1.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.42 -66.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.884 0.373 . . . . 1.0 110.543 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -48.73 78.76 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.41 -168.09 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.1 -9.11 7.53 Favored Glycine 0 CA--C 1.477 -2.328 0 C-N-CA 120.663 -0.779 . . . . 1.0 113.591 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.1 m -83.55 97.4 9.02 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 116.374 -2.13 . . . . 1.0 109.456 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.62 -29.81 0.81 Allowed 'General case' 0 C--N 1.275 -2.646 0 CA-C-N 110.757 -2.929 . . . . 1.0 111.66 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 21' ' ' GLY . 38.2 tp -80.92 156.5 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.094 0.473 . . . . 1.0 110.834 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 20' ' ' LEU . . . 170.47 -155.19 24.52 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.663 -0.699 . . . . 1.0 113.066 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -159.03 144.73 16.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.924 -0.638 . . . . 1.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' HD13 ' A' ' 24' ' ' ILE . 50.0 t -102.96 154.59 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.026 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.13 172.08 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 122.321 1.057 . . . . 1.0 110.047 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.16 -66.3 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.9 -2.409 . . . . 1.0 112.136 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.3 m-20 -139.16 11.61 2.6 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 108.99 -3.605 . . . . 1.0 108.96 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 12.6 tttt -105.37 170.5 7.84 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.872 1.32 . . . . 1.0 111.798 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 t -170.09 128.24 0.88 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 112.074 -2.33 . . . . 1.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -157.18 145.46 19.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 1.0 111.438 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 73.3 m -67.78 175.3 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.415 -2.177 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.769 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.706 0.289 . . . . 1.0 110.765 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 43.01 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -68.5 -54.95 13.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.189 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 22.2 mtm180 -42.33 -61.66 1.14 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.176 0.513 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mmm -50.84 -42.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.086 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -56.24 -45.4 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.25 -40.9 12.22 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.494 -0.776 . . . . 1.0 109.889 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.88 -55.01 22.68 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.83 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.02 -31.47 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.629 -1.168 . . . . 1.0 110.413 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -77.25 -39.23 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.631 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -71.45 -35.93 71.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.934 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.18 -47.84 17.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.476 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.8 t -55.13 -63.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.65 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -166.07 -172.2 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.478 0.547 . . . . 1.0 112.478 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.17 54.43 1.85 Allowed Glycine 0 CA--C 1.469 -2.833 0 CA-C-N 115.767 -0.651 . . . . 1.0 113.128 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 63.6 m -108.54 96.08 6.1 Favored 'General case' 0 N--CA 1.41 -2.434 0 CA-C-O 124.129 1.919 . . . . 1.0 109.409 174.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.4 27.41 Favored 'General case' 0 C--N 1.259 -3.36 0 CA-C-N 109.901 -3.318 . . . . 1.0 111.998 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.54 160.61 40.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.716 0.77 . . . . 1.0 112.271 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . -169.74 -156.1 10.64 Favored Glycine 0 N--CA 1.425 -2.1 0 CA-C-N 114.61 -1.177 . . . . 1.0 113.02 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -160.97 145.49 13.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.024 -0.588 . . . . 1.0 111.774 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.85 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.4 t -108.21 153.51 23.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.749 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -136.15 171.74 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 CA-C-O 122.364 1.078 . . . . 1.0 110.196 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -9.77 -66.29 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.926 -2.397 . . . . 1.0 112.181 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -138.62 11.4 2.71 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 108.987 -3.606 . . . . 1.0 109.011 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 14.1 tttm -104.7 170.31 7.95 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-O 122.855 1.312 . . . . 1.0 111.751 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 38.2 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 112.1 -2.318 . . . . 1.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.17 144.18 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.086 0.469 . . . . 1.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 44.8 m -66.16 171.35 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 3.7 m-85 . . . . . 0 N--CA 1.415 -2.222 0 CA-C-O 120.711 0.291 . . . . 1.0 111.102 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.079 0.466 . . . . 1.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 46.11 81.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -76.91 -49.98 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.34 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -42.36 -63.02 0.82 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.209 0.528 . . . . 1.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -40.02 63.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.269 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -43.77 77.67 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.814 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -47.72 -41.5 23.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.836 178.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -53.19 32.4 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.898 -1.046 . . . . 1.0 110.001 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -46.97 -36.16 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.475 -1.239 . . . . 1.0 110.406 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -44.0 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.462 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 12.7 ttm180 -60.49 -48.57 81.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.838 -1.074 . . . . 1.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -71.58 -54.71 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.0 t -53.59 -50.29 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.366 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -139.08 -79.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.333 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 13' ' ' ARG . . . 146.89 -9.88 1.36 Allowed Glycine 0 CA--C 1.477 -2.296 0 C-N-CA 120.677 -0.773 . . . . 1.0 113.617 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.49 97.12 6.99 Favored 'General case' 0 N--CA 1.421 -1.909 0 C-N-CA 116.254 -2.179 . . . . 1.0 109.782 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -50.57 86.8 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.704 0 CA-C-N 110.86 -2.882 . . . . 1.0 111.407 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 21' ' ' GLY . 5.8 tp -178.6 133.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.574 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 171.2 -155.32 24.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.072 -0.585 . . . . 1.0 113.144 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -169.1 147.33 3.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -0.647 . . . . 1.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.1 t -102.58 153.48 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -137.45 170.04 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-O 122.299 1.047 . . . . 1.0 110.109 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.83 -65.85 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.944 0 CA-C-N 112.064 -2.334 . . . . 1.0 112.552 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.8 m-20 -137.05 10.66 3.06 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 109.009 -3.595 . . . . 1.0 108.982 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.9 ttpp -102.42 170.01 8.32 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 122.898 1.332 . . . . 1.0 111.777 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 48.8 t -176.77 125.48 0.16 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 112.035 -2.348 . . . . 1.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 149.04 1.08 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.306 0.574 . . . . 1.0 111.567 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.2 m -58.06 166.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.184 -0.917 . . . . 1.0 110.192 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.415 -2.18 0 CA-C-O 121.183 0.516 . . . . 1.0 111.18 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.932 0.396 . . . . 1.0 110.822 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 54.12 81.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 5' ' ' LEU . 1.8 tm? -74.62 -67.01 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.285 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.96 -60.2 1.48 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.025 0.44 . . . . 1.0 110.597 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpp -52.34 -43.14 64.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -56.88 -42.38 79.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -48.09 -41.41 26.16 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.456 0.646 . . . . 1.0 109.628 178.633 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -50.61 -53.29 31.86 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.876 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -47.43 -34.31 7.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.424 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -72.68 -46.05 55.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -57.53 -46.8 83.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.118 -0.947 . . . . 1.0 110.49 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.91 -54.26 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.534 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' HD22 ' A' ' 16' ' ' LEU . 32.5 t -57.8 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.7 mm? -122.74 -82.75 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.188 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 145.7 -2.47 1.06 Allowed Glycine 0 CA--C 1.476 -2.397 0 CA-C-O 119.024 -0.875 . . . . 1.0 114.114 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.6 m -88.49 97.96 11.37 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 116.248 -2.181 . . . . 1.0 109.837 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.38 83.01 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 110.595 -3.002 . . . . 1.0 111.973 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 173.8 149.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.795 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 167.98 -154.78 25.06 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.942 -0.647 . . . . 1.0 113.003 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.49 144.59 22.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.956 -0.622 . . . . 1.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 8.2 t -106.01 153.29 22.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.788 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.75 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.99 169.38 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 122.236 1.017 . . . . 1.0 109.865 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.564 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.25 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.878 0 CA-C-N 112.144 -2.298 . . . . 1.0 112.492 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' ILE . 23.5 t0 -138.92 11.65 2.65 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 108.88 -3.66 . . . . 1.0 108.907 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.75 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.1 ttmt -105.86 170.43 7.91 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 122.797 1.284 . . . . 1.0 111.532 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -173.71 134.95 0.5 Allowed 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 112.238 -2.256 . . . . 1.0 110.938 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -168.18 146.2 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 1.0 111.222 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 29.4 m -58.95 167.46 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.421 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.88 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.424 -1.74 0 CA-C-O 121.025 0.441 . . . . 1.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 1.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.56 80.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -80.87 -52.53 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.42 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -43.05 -62.5 1.02 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.096 0.474 . . . . 1.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 8' ' ' CYS . 8.8 ptp -55.97 -37.14 68.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.309 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.24 -41.74 80.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.662 -0.496 . . . . 1.0 109.662 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -46.89 -41.5 15.96 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.742 -0.663 . . . . 1.0 109.85 178.782 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -51.48 -54.0 31.51 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.949 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -47.96 -34.5 9.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.589 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -75.04 -43.48 53.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.38 0.61 . . . . 1.0 109.53 179.038 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -61.89 -46.11 90.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.066 -0.97 . . . . 1.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HD2' HD12 ' A' ' 10' ' ' LEU . 13.8 mttt -72.38 -53.59 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.585 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -55.15 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -139.38 -77.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.352 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 140.21 7.01 0.98 Allowed Glycine 0 CA--C 1.478 -2.235 0 C-N-CA 120.676 -0.773 . . . . 1.0 114.041 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.4 m -86.69 97.3 10.5 Favored 'General case' 0 N--CA 1.421 -1.895 0 C-N-CA 116.625 -2.03 . . . . 1.0 109.714 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -51.32 76.69 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.703 0 CA-C-N 110.482 -3.054 . . . . 1.0 111.794 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 9.6 tp 179.4 140.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.22 -154.82 24.59 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 121.056 -0.593 . . . . 1.0 112.952 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -157.15 141.96 16.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.974 -0.613 . . . . 1.0 111.208 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 52.4 t -103.78 153.79 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.795 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -136.62 169.92 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-O 122.256 1.027 . . . . 1.0 110.057 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.72 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.919 0 CA-C-N 112.105 -2.316 . . . . 1.0 112.576 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.9 m-20 -137.62 10.97 2.94 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 108.903 -3.648 . . . . 1.0 108.993 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -104.54 170.02 8.13 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.769 1.271 . . . . 1.0 111.521 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -177.64 132.87 0.16 Allowed 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 112.227 -2.26 . . . . 1.0 110.755 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -169.1 144.14 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.05 0.452 . . . . 1.0 111.634 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.9 m -70.58 174.27 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 1.9 m-85 . . . . . 0 N--CA 1.422 -1.83 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.998 0.428 . . . . 1.0 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 52.72 82.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -72.26 -60.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.96 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.28 -60.89 1.32 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.979 0.418 . . . . 1.0 110.487 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 tpp -50.42 -43.69 54.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.013 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -45.71 75.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.612 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.3 -41.56 19.32 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.907 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.67 -53.61 29.72 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.872 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -46.98 -34.07 5.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.483 -1.235 . . . . 1.0 110.368 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -73.13 -46.52 50.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.39 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 2.2 tpt180 -57.03 -45.58 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.087 -0.961 . . . . 1.0 110.49 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -54.74 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' HD22 ' A' ' 16' ' ' LEU . 44.1 t -58.62 -64.7 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.223 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 15' ' ' SER . 4.4 mm? -119.18 -84.24 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.285 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 147.5 -6.09 1.04 Allowed Glycine 0 CA--C 1.474 -2.486 0 CA-C-O 119.042 -0.866 . . . . 1.0 114.064 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 20' ' ' LEU . 7.5 m -86.65 98.06 10.91 Favored 'General case' 0 N--CA 1.42 -1.941 0 C-N-CA 116.153 -2.219 . . . . 1.0 109.77 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.63 83.69 0.0 OUTLIER 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 110.657 -2.974 . . . . 1.0 112.154 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 174.71 145.76 0.06 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.818 179.664 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.16 -154.89 25.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.913 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 143.96 16.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.958 -0.621 . . . . 1.0 111.292 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -105.64 153.54 21.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.675 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -135.52 172.26 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.25 0 CA-C-O 122.403 1.097 . . . . 1.0 110.234 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.65 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.39 -66.24 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.837 0 CA-C-N 111.832 -2.44 . . . . 1.0 112.174 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ILE . 12.9 t70 -138.29 11.2 2.79 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.974 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.4 ttmm -103.92 170.06 8.14 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.856 1.312 . . . . 1.0 111.631 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 44.7 t -172.92 133.08 0.54 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 112.139 -2.301 . . . . 1.0 110.692 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -169.89 146.42 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 1.0 111.325 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 36.6 m -59.46 168.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.47 -0.787 . . . . 1.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.924 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.5 m-85 . . . . . 0 N--CA 1.423 -1.798 0 CA-C-O 121.09 0.471 . . . . 1.0 110.607 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.11 0.481 . . . . 1.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 37.27 76.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.253 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -81.75 -42.98 19.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.283 -0.871 . . . . 1.0 111.201 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.4 tmm_? -41.75 -59.87 1.53 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.41 -45.02 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.822 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -44.54 84.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.65 -40.46 13.16 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.341 -0.845 . . . . 1.0 109.762 178.61 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -55.07 22.82 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.784 -1.098 . . . . 1.0 109.905 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -50.4 -34.98 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.356 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.97 -40.99 60.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.417 178.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.2 -58.02 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.81 -1.087 . . . . 1.0 110.586 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -58.42 -50.84 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.697 ' O ' HD23 ' A' ' 16' ' ' LEU . 45.1 t -56.19 -62.55 1.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 15' ' ' SER . 27.3 mt -144.54 -163.12 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 1.0 111.391 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.57 44.3 1.52 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.968 -0.634 . . . . 1.0 112.009 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 20' ' ' LEU . 40.9 t -126.41 27.78 6.11 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 125.488 2.565 . . . . 1.0 110.662 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -14.91 -43.59 0.0 OUTLIER 'General case' 1 C--N 1.225 -4.842 1 CA-C-N 106.416 -4.902 . . . . 1.0 113.976 -179.869 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.4 mm? -43.09 156.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.105 0.479 . . . . 1.0 111.604 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 170.42 -155.62 25.35 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.991 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -176.02 145.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.028 -0.586 . . . . 1.0 111.662 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.851 ' O ' HD13 ' A' ' 24' ' ' ILE . 49.7 t -104.3 153.65 20.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.73 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.01 172.17 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.244 0 CA-C-O 122.34 1.067 . . . . 1.0 110.208 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.28 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.859 0 CA-C-N 111.924 -2.398 . . . . 1.0 112.138 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.7 t0 -138.87 11.48 2.66 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 109.051 -3.574 . . . . 1.0 108.904 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.623 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 3.4 ttpt -104.88 170.3 7.95 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-O 122.83 1.3 . . . . 1.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.28 132.86 0.81 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 112.183 -2.281 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.17 144.85 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 76.3 m -63.69 -177.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.511 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.426 -1.641 0 CA-C-O 121.078 0.466 . . . . 1.0 109.945 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 121.024 0.44 . . . . 1.0 111.78 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.82 80.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.236 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.7 -57.5 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.152 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.9 tmm_? -42.04 -61.37 1.16 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.112 0.482 . . . . 1.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.38 -43.52 54.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.0 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.62 -45.84 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.4 mt-30 -46.57 -41.28 14.19 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.496 -0.774 . . . . 1.0 109.845 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -54.59 26.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.921 -1.036 . . . . 1.0 109.853 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 41.0 t -47.08 -34.1 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.532 -1.213 . . . . 1.0 110.342 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.54 -44.23 29.31 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 178.331 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -55.09 -42.73 73.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.062 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -80.14 -55.32 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.416 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' SER . 27.3 t -61.21 -66.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.486 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.31 -86.56 0.64 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.545 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 154.27 6.95 0.09 OUTLIER Glycine 0 CA--C 1.481 -2.058 0 C-N-CA 120.306 -0.949 . . . . 1.0 114.667 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -89.31 96.9 10.91 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 116.559 -2.057 . . . . 1.0 109.94 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.34 -28.09 1.23 Allowed 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 110.618 -2.992 . . . . 1.0 112.053 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -87.83 156.57 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 1.0 111.107 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.92 -155.31 25.07 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.548 -0.751 . . . . 1.0 113.035 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -151.73 142.81 23.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.944 -0.628 . . . . 1.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' C ' HD12 ' A' ' 24' ' ' ILE . 17.7 t -110.1 152.8 25.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.4 mp -135.97 169.6 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 CA-C-O 122.069 0.937 . . . . 1.0 109.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.15 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.055 0 CA-C-N 112.349 -2.205 . . . . 1.0 112.314 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.6 m-20 -140.81 11.79 2.25 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 108.656 -3.772 . . . . 1.0 109.25 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.803 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.82 170.59 7.81 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.862 1.315 . . . . 1.0 111.74 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.46 134.68 4.02 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 112.038 -2.346 . . . . 1.0 110.648 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 130.18 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 1.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -70.72 168.47 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.632 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.7 m-85 . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 120.921 0.391 . . . . 1.0 111.014 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.174 0.512 . . . . 1.0 110.83 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 42.25 78.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 1.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -78.73 -67.18 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.137 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.78 -58.63 1.93 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.899 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -50.07 -46.05 53.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -44.55 80.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.38 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.97 -40.86 23.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.808 178.738 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.18 -53.46 34.66 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 114.824 -1.08 . . . . 1.0 110.039 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 20.8 p -47.87 -36.64 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.603 -1.181 . . . . 1.0 110.484 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.31 -40.75 43.21 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.656 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.72 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.322 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -73.17 -55.71 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.527 ' C ' HD12 ' A' ' 16' ' ' LEU . 31.2 t -55.94 -46.05 78.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.24 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 15' ' ' SER . 4.8 mp -147.15 -88.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.458 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 159.19 44.68 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.559 0 C-N-CA 120.636 -0.792 . . . . 1.0 113.597 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.93 95.76 5.74 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-O 124.28 1.99 . . . . 1.0 110.236 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.0 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.267 -3.011 0 CA-C-N 109.655 -3.43 . . . . 1.0 112.287 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -58.25 157.35 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 1.0 111.438 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.719 ' H ' HD13 ' A' ' 20' ' ' LEU . . . 173.83 -155.69 22.38 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 115.445 -0.798 . . . . 1.0 113.26 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -151.73 141.04 21.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.887 -0.656 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.798 ' O ' HD13 ' A' ' 24' ' ' ILE . 44.1 t -107.69 154.35 21.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.046 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -133.5 172.1 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.322 0 CA-C-O 122.293 1.044 . . . . 1.0 109.99 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.07 -66.42 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.866 0 CA-C-N 112.015 -2.357 . . . . 1.0 111.91 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 p30 -140.4 12.24 2.35 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 109.001 -3.6 . . . . 1.0 108.939 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 32.4 tttt -105.65 170.45 7.88 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 122.911 1.339 . . . . 1.0 111.88 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.78 133.06 9.84 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.075 -2.33 . . . . 1.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 129.88 14.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.981 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 8.9 m -79.84 168.46 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.469 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.415 -2.189 0 CA-C-O 120.907 0.384 . . . . 1.0 111.867 -178.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.101 0.477 . . . . 1.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 41.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -78.45 -60.37 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.062 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 37.1 mtm180 -42.18 -61.13 1.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.45 . . . . 1.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.35 -44.31 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.84 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -54.87 -47.52 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.43 178.602 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.1 mt-30 -46.12 -41.18 12.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.113 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.99 -54.54 28.59 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.93 -1.032 . . . . 1.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.1 p -48.98 -36.04 16.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.59 -1.186 . . . . 1.0 110.625 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -78.31 -39.12 40.66 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.51 0.672 . . . . 1.0 109.196 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.85 -47.79 84.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.905 -1.043 . . . . 1.0 110.086 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -73.39 -55.08 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.133 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.793 ' C ' HD22 ' A' ' 16' ' ' LEU . 33.2 t -56.13 -58.85 6.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.142 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 15' ' ' SER . 3.7 mm? -133.65 -89.24 0.39 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.563 -0.289 . . . . 1.0 111.431 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 163.07 38.26 0.02 OUTLIER Glycine 0 CA--C 1.475 -2.414 0 C-N-CA 120.679 -0.772 . . . . 1.0 113.824 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 m -105.79 95.91 6.12 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 124.255 1.979 . . . . 1.0 110.049 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.36 -46.53 76.44 Favored 'General case' 0 C--N 1.266 -3.023 0 CA-C-N 109.664 -3.426 . . . . 1.0 112.332 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -86.3 154.33 21.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.128 0.49 . . . . 1.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 176.35 -155.27 18.61 Favored Glycine 0 N--CA 1.434 -1.468 0 CA-C-N 115.745 -0.662 . . . . 1.0 113.403 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -147.97 142.01 25.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.845 -0.678 . . . . 1.0 111.161 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -113.53 152.73 29.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.771 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.3 mt -137.06 172.08 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.212 0 CA-C-O 122.359 1.076 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.05 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.925 0 CA-C-N 111.857 -2.428 . . . . 1.0 112.211 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.5 p30 -138.23 11.11 2.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 109.039 -3.58 . . . . 1.0 109.009 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.3 ttmt -102.32 169.93 8.39 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 122.906 1.336 . . . . 1.0 111.836 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -169.25 132.12 1.26 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 112.081 -2.327 . . . . 1.0 110.555 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -160.31 130.55 5.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.914 0.388 . . . . 1.0 111.28 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.7 m -77.66 161.57 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.157 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.549 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.6 m-85 . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.884 0.373 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.33 82.43 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -73.46 -63.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.243 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 24.8 ttt180 -42.81 -62.95 0.87 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.146 0.498 . . . . 1.0 110.095 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.6 tpp -52.07 -40.25 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.316 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -45.22 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -45.7 -41.4 10.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.857 178.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.49 -55.01 24.92 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.895 -1.048 . . . . 1.0 109.963 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 38.4 m -50.18 -29.3 9.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.581 -1.191 . . . . 1.0 110.535 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -79.16 -43.47 23.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 178.683 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.41 -38.52 71.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.114 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -55.32 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.806 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.3 t -62.68 -68.09 0.36 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.575 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.6 mt -153.3 134.29 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.264 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.27 51.22 2.48 Favored Glycine 0 CA--C 1.479 -2.194 0 N-CA-C 114.724 0.649 . . . . 1.0 114.724 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -117.64 95.48 4.96 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 123.938 1.828 . . . . 1.0 109.725 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.85 -33.46 0.08 Allowed 'General case' 0 C--N 1.269 -2.912 0 CA-C-N 109.977 -3.283 . . . . 1.0 112.191 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.974 HD12 ' HB3' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -76.69 156.36 32.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.169 0.509 . . . . 1.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 165.27 -154.51 25.3 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.535 -0.757 . . . . 1.0 112.638 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -158.52 142.42 15.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.081 -0.559 . . . . 1.0 111.67 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 18.0 t -117.62 146.43 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.701 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -138.56 171.21 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.974 0 CA-C-O 122.621 1.201 . . . . 1.0 110.441 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.61 -65.1 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.81 0 CA-C-N 111.745 -2.479 . . . . 1.0 113.261 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -130.69 7.63 4.83 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-N 109.513 -3.343 . . . . 1.0 108.882 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.765 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -94.41 169.84 9.92 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.84 1.305 . . . . 1.0 111.717 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.9 t 176.74 121.27 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.062 -2.335 . . . . 1.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 142.53 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.495 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 5.5 m -63.46 -163.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.944 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.974 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.414 -2.232 0 CA-C-O 120.846 0.355 . . . . 1.0 111.73 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.025 0.44 . . . . 1.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 45.63 80.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tt -75.59 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -41.64 -60.43 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.087 0.47 . . . . 1.0 110.585 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 ttt -50.57 -44.67 56.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.965 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.37 -44.89 76.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.53 178.79 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -47.5 -41.92 21.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.882 178.806 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.76 -53.2 33.69 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.935 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.0 t -49.9 -28.3 6.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.817 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -46.82 57.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.239 0.542 . . . . 1.0 110.064 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -44.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -53.29 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t -58.09 -64.47 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.52 -83.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.17 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.32 -20.16 0.83 Allowed Glycine 0 CA--C 1.478 -2.261 0 CA-C-O 119.021 -0.877 . . . . 1.0 113.64 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 m -76.77 97.46 4.51 Favored 'General case' 0 N--CA 1.423 -1.815 0 C-N-CA 115.9 -2.32 . . . . 1.0 109.767 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -49.99 87.38 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 110.733 -2.94 . . . . 1.0 111.422 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.37 150.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 164.24 -154.87 25.96 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.802 -0.714 . . . . 1.0 113.058 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -167.53 142.93 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.812 -0.694 . . . . 1.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -100.89 154.52 18.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.754 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -135.52 169.49 20.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 CA-C-O 122.151 0.977 . . . . 1.0 109.878 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.12 -66.02 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 112.197 -2.274 . . . . 1.0 112.419 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 7.2 t70 -138.9 11.55 2.65 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 108.837 -3.681 . . . . 1.0 108.975 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.1 ttmt -104.69 170.31 7.95 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 122.865 1.317 . . . . 1.0 111.778 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -171.48 128.97 0.68 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 112.103 -2.317 . . . . 1.0 110.57 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -163.16 143.72 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 1.0 111.279 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.512 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 65.8 m -68.49 171.15 7.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 9.3 m-85 . . . . . 0 N--CA 1.42 -1.951 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.032 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.932 0.396 . . . . 1.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 48.74 82.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tm? -73.4 -66.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.64 -61.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.086 0.47 . . . . 1.0 110.418 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttm -51.45 -41.6 60.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.321 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -56.09 -45.25 79.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 178.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -45.63 -41.32 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.813 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -55.11 25.03 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.995 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.478 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -79.22 -42.52 25.79 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.5 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -56.55 -40.75 75.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -82.29 -54.84 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.446 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 16' ' ' LEU . 23.8 t -61.59 -67.1 0.44 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.4 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -159.47 137.07 9.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.834 0.349 . . . . 1.0 111.3 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 53.15 1.75 Allowed Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 114.664 0.626 . . . . 1.0 114.664 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 56.6 m -117.05 95.42 4.99 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 123.825 1.774 . . . . 1.0 109.409 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.88 -27.8 0.57 Allowed 'General case' 0 C--N 1.26 -3.313 0 CA-C-N 110.362 -3.108 . . . . 1.0 111.615 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 35.8 tp -76.84 153.69 34.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.446 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 160.39 -154.23 25.23 Favored Glycine 0 CA--C 1.503 -0.662 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.434 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -161.18 145.52 13.45 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.212 0.53 . . . . 1.0 111.879 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 16.0 t -117.61 145.79 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.591 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.794 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.09 171.3 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 CA-C-O 122.56 1.172 . . . . 1.0 110.403 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.5 -65.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 111.698 -2.501 . . . . 1.0 113.225 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.06 7.77 4.69 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 109.466 -3.367 . . . . 1.0 108.876 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.0 tttp -95.55 169.68 9.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 122.825 1.298 . . . . 1.0 111.609 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 43.9 t 174.31 124.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 112.041 -2.345 . . . . 1.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.92 142.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 1.0 111.454 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.0 m -67.54 -173.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.42 -1.955 0 N-CA-C 112.556 0.576 . . . . 1.0 112.556 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.028 0.442 . . . . 1.0 110.7 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 44.73 79.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.729 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.14 -50.45 16.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.644 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.6 ttp85 -43.78 -64.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.1 0.476 . . . . 1.0 110.276 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.9 ptm -53.21 -37.1 61.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.291 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -56.45 -45.92 80.57 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -43.99 -41.52 5.43 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.46 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -53.86 -57.17 11.9 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 114.737 -1.12 . . . . 1.0 109.697 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -26.44 60.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.588 -1.187 . . . . 1.0 110.371 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -76.19 -39.74 54.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.737 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -65.68 -51.85 56.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.957 -1.019 . . . . 1.0 110.164 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.19 -50.3 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.954 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -55.24 -60.48 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.543 . . . . 1.0 111.125 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mt -153.47 131.76 11.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 1.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.25 -25.48 0.15 Allowed Glycine 0 CA--C 1.479 -2.194 0 CA-C-O 118.877 -0.957 . . . . 1.0 114.435 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -74.01 97.79 2.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.639 -2.424 . . . . 1.0 109.833 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.16 -29.26 30.43 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-N 110.579 -3.009 . . . . 1.0 111.933 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 150.51 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.31 -155.22 25.73 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.873 -0.679 . . . . 1.0 113.241 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.27 145.86 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.852 -0.674 . . . . 1.0 111.221 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.3 t -101.92 153.55 19.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.746 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -136.8 169.93 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 122.261 1.029 . . . . 1.0 110.102 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.65 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.938 0 CA-C-N 112.038 -2.346 . . . . 1.0 112.57 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.4 p30 -137.49 10.9 2.96 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 108.977 -3.611 . . . . 1.0 108.97 178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.3 tttt -103.2 170.11 8.15 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 122.853 1.311 . . . . 1.0 111.779 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 46.1 t -176.33 125.76 0.19 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 112.131 -2.304 . . . . 1.0 110.641 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -172.17 147.53 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.187 0.518 . . . . 1.0 111.468 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 79.1 m -60.31 173.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.542 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.42 -1.969 0 CA-C-O 120.796 0.332 . . . . 1.0 111.339 -179.159 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.884 0.374 . . . . 1.0 111.39 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m120 47.59 81.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -75.39 -67.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.23 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -41.98 -60.97 1.24 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.139 0.495 . . . . 1.0 110.602 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.9 ttm -51.99 -42.69 63.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.296 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -56.91 -43.36 81.3 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.585 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -46.19 -41.7 13.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.687 178.528 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.79 -55.08 21.96 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.708 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -53.56 -27.25 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.505 -1.225 . . . . 1.0 110.375 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -77.49 -42.6 35.16 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.959 -0.756 . . . . 1.0 108.959 178.562 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -42.49 88.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.21 -0.905 . . . . 1.0 110.034 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -78.34 -53.29 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -60.23 -66.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.211 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -161.96 135.84 6.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.984 0.421 . . . . 1.0 111.258 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.37 55.35 0.64 Allowed Glycine 0 CA--C 1.481 -2.06 0 N-CA-C 115.103 0.801 . . . . 1.0 115.103 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.8 m -114.61 95.39 5.22 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-O 123.878 1.799 . . . . 1.0 109.528 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.42 -30.57 0.34 Allowed 'General case' 0 C--N 1.269 -2.913 0 CA-C-N 110.108 -3.224 . . . . 1.0 111.629 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 31' ' ' TYR . 3.2 mm? -75.14 158.31 33.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 1.0 111.224 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.55 -155.61 25.86 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.284 -0.871 . . . . 1.0 112.577 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -176.22 145.6 0.62 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.128 -0.536 . . . . 1.0 111.755 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.59 151.71 24.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.267 179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mp -135.91 169.63 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 CA-C-O 122.125 0.964 . . . . 1.0 110.194 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.28 -66.15 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.087 0 CA-C-N 112.249 -2.25 . . . . 1.0 112.503 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.6 t0 -139.72 11.41 2.47 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 108.716 -3.742 . . . . 1.0 109.184 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.3 ttmt -105.98 170.61 7.8 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 122.872 1.32 . . . . 1.0 111.404 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -170.86 135.2 1.05 Allowed 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 112.095 -2.321 . . . . 1.0 110.71 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.99 144.97 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.073 0.463 . . . . 1.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 10.8 m -62.85 -173.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.422 -1.831 0 CA-C-O 121.117 0.484 . . . . 1.0 110.668 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.936 0.398 . . . . 1.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 53.25 82.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -71.42 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.031 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 1.2 mpt_? -42.14 -61.94 1.05 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.143 0.497 . . . . 1.0 110.385 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.66 -42.8 57.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.137 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.11 -45.9 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 178.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.911 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -46.66 -41.7 15.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.93 178.787 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -53.84 32.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.912 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -34.83 8.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.514 -1.221 . . . . 1.0 110.518 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -44.3 56.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.791 -0.641 . . . . 1.0 109.543 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -60.59 -45.35 94.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.41 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -73.21 -54.02 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 16' ' ' LEU . 46.3 t -57.07 -63.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 15' ' ' SER . 4.3 mm? -122.35 -84.65 0.66 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.11 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.81 -31.75 0.51 Allowed Glycine 0 CA--C 1.476 -2.36 0 CA-C-O 118.885 -0.953 . . . . 1.0 113.606 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -74.07 97.51 2.9 Favored 'General case' 0 N--CA 1.422 -1.83 0 C-N-CA 115.654 -2.418 . . . . 1.0 109.946 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.911 HD13 ' HG2' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -54.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.116 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.541 HD11 ' HD2' ' A' ' 31' ' ' TYR . 8.6 tp 177.65 133.11 0.07 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.211 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 172.19 -154.8 22.29 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.134 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -150.31 143.33 24.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.928 -0.636 . . . . 1.0 111.2 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.9 t -105.21 153.75 21.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.833 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -136.08 172.3 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.242 0 CA-C-O 122.451 1.119 . . . . 1.0 110.223 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.643 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.61 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.905 0 CA-C-N 111.798 -2.456 . . . . 1.0 112.286 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.1 t70 -137.67 10.87 2.92 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 109.119 -3.541 . . . . 1.0 108.94 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.833 ' HD2' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -104.44 170.11 8.09 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.84 1.305 . . . . 1.0 111.54 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.2 t -176.06 131.76 0.24 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 112.225 -2.262 . . . . 1.0 110.68 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.46 144.8 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.139 0.495 . . . . 1.0 111.634 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 11.3 m -67.48 172.81 4.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.258 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.42 -1.969 0 CA-C-O 121.235 0.541 . . . . 1.0 110.769 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.105 0.479 . . . . 1.0 110.788 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 43.76 78.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -82.28 -49.72 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.517 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.42 -62.21 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.203 0.525 . . . . 1.0 110.577 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 ptm -54.26 -39.52 66.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.396 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.61 -42.21 82.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.3 -41.45 13.22 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.662 178.613 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.01 -54.96 23.66 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.817 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -48.49 -31.15 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.537 -1.21 . . . . 1.0 110.492 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.46 -45.59 30.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.52 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.02 -42.87 73.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.286 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -54.71 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.588 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 32.7 t -60.88 -66.16 0.58 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.461 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 mt -135.09 110.24 8.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 1.0 111.412 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.32 -22.43 0.21 Allowed Glycine 0 CA--C 1.48 -2.145 0 CA-C-O 118.862 -0.966 . . . . 1.0 114.568 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 20' ' ' LEU . 58.2 m -73.55 97.37 2.59 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.817 -2.353 . . . . 1.0 110.133 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -61.44 105.62 0.54 Allowed 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.313 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER 168.94 151.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 162.42 -154.83 25.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.664 -0.779 . . . . 1.0 113.249 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -163.34 143.64 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.852 -0.674 . . . . 1.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 51.0 t -102.17 154.74 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.74 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.15 169.46 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 122.195 0.997 . . . . 1.0 109.831 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.22 -65.99 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.891 0 CA-C-N 112.2 -2.273 . . . . 1.0 112.502 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.8 p30 -138.94 11.57 2.64 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 108.816 -3.692 . . . . 1.0 108.968 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.74 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.9 tttm -105.91 170.51 7.86 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 122.829 1.299 . . . . 1.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -173.88 133.37 0.44 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 112.192 -2.276 . . . . 1.0 110.824 179.728 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 144.02 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.249 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 62.2 m -65.22 172.99 2.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.799 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.416 -2.158 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.36 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.962 0.41 . . . . 1.0 110.914 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.86 80.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 HD22 ' OE1' ' A' ' 9' ' ' GLN . 1.2 tt -77.59 -66.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 2.5 ttm180 -41.89 -60.7 1.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.178 0.514 . . . . 1.0 110.669 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpp -51.29 -43.53 61.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.114 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.39 -44.31 80.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.5 -41.55 14.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.904 178.6 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.23 -54.62 24.01 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.805 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -51.46 -36.47 44.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.52 -1.218 . . . . 1.0 110.402 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -68.14 -42.72 79.73 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -70.07 -29.42 66.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.012 -0.995 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -77.34 -66.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.744 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -63.56 1.19 Allowed 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.962 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.5 mm? -120.09 -93.5 0.52 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.725 -0.216 . . . . 1.0 111.552 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 156.29 -10.48 0.31 Allowed Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 120.296 -0.954 . . . . 1.0 114.357 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -78.02 97.38 5.36 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 115.858 -2.337 . . . . 1.0 109.997 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD21 ' HG2' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -33.37 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 110.436 -3.075 . . . . 1.0 112.22 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -56.36 152.61 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 1.0 111.056 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.14 -155.21 26.3 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.194 -0.526 . . . . 1.0 112.849 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -171.57 148.39 2.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.947 -0.626 . . . . 1.0 111.496 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 7.3 t -112.01 152.21 28.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.627 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' HD3' ' A' ' 27' ' ' LYS . 1.2 mt -136.06 172.01 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 CA-C-O 122.405 1.098 . . . . 1.0 110.318 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.13 -66.19 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.928 0 CA-C-N 111.822 -2.444 . . . . 1.0 112.319 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' ILE . 32.4 p30 -138.13 11.14 2.82 Favored 'General case' 0 C--N 1.281 -2.399 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.971 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HD3' HD12 ' A' ' 24' ' ' ILE . 19.4 tttm -103.95 169.97 8.19 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.798 1.285 . . . . 1.0 111.582 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.8 t -173.72 133.35 0.46 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.165 -2.289 . . . . 1.0 110.626 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.14 143.43 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.055 0.455 . . . . 1.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.3 m -66.32 173.08 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.505 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.423 -1.783 0 CA-C-O 121.14 0.495 . . . . 1.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.835 0.35 . . . . 1.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER 62.42 149.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.85 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.22 91.41 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.25 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 48.98 82.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -67.1 -62.66 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 29.1 ttt180 -43.15 -64.02 0.71 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.072 0.463 . . . . 1.0 110.018 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.56 43.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.252 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.69 -48.55 72.28 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -44.7 -41.28 6.64 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.254 -0.884 . . . . 1.0 109.723 178.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.23 -56.07 19.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.758 -1.11 . . . . 1.0 109.948 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.5 m -50.47 -32.34 17.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.366 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -78.7 -40.99 32.21 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 178.604 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.78 -41.17 86.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.921 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -54.97 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.458 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.4 t -62.03 -68.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.215 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.51 137.5 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.273 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.36 60.7 0.84 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 114.272 0.469 . . . . 1.0 114.272 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 58.8 m -114.24 93.67 4.46 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-O 124.375 2.036 . . . . 1.0 110.471 174.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.97 -32.57 0.09 Allowed 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 109.518 -3.492 . . . . 1.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD12 ' HD2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -100.19 154.88 18.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 1.0 111.201 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.99 -155.03 25.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.94 -0.648 . . . . 1.0 113.399 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CG ' ' OH ' ' A' ' 31' ' ' TYR . 2.4 mttp -131.74 145.7 51.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.823 -0.689 . . . . 1.0 111.516 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 44.3 t -112.5 151.12 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.772 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -136.4 167.82 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.002 0 CA-C-O 121.934 0.873 . . . . 1.0 109.606 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -7.27 -65.9 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.872 0 CA-C-O 124.488 2.16 . . . . 1.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 m-20 -141.77 13.15 2.09 Favored 'General case' 0 C--N 1.279 -2.472 0 CA-C-N 108.626 -3.787 . . . . 1.0 108.791 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.792 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.9 ttmt -107.99 170.86 7.74 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.915 1.34 . . . . 1.0 111.613 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.83 148.6 24.11 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 112.103 -2.317 . . . . 1.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.06 113.28 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m -72.68 177.53 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.949 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.625 ' HD2' HD12 ' A' ' 20' ' ' LEU . 23.3 m-85 -110.55 -152.95 0.51 Allowed 'General case' 0 N--CA 1.407 -2.619 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 33' ' ' CYS . . . -85.88 27.15 5.55 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.097 -1.049 . . . . 1.0 110.678 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 32' ' ' GLY . 52.4 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.205 -0.903 . . . . 1.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.825 0.345 . . . . 1.0 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.37 153.56 22.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.851 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.35 78.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 37.33 77.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.262 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.951 HD23 ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -84.94 -36.17 21.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.092 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.951 ' N ' HD23 ' A' ' 5' ' ' LEU . 13.9 ttt85 -42.76 -63.05 0.85 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.501 . . . . 1.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.65 -37.53 68.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.398 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -58.22 -41.25 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.41 -41.36 13.57 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.485 0.66 . . . . 1.0 109.6 178.519 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.11 -54.92 24.61 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.893 -1.049 . . . . 1.0 109.839 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 p -48.55 -30.07 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.543 -1.208 . . . . 1.0 110.553 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.12 -46.56 28.22 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -53.96 -42.94 69.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.399 -0.818 . . . . 1.0 110.363 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -79.75 -54.82 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.676 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.761 ' C ' HD22 ' A' ' 16' ' ' LEU . 23.1 t -61.37 -66.3 0.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.552 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 15' ' ' SER . 3.9 mm? -132.78 110.86 10.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.954 0.407 . . . . 1.0 111.474 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.66 -22.24 0.24 Allowed Glycine 0 CA--C 1.481 -2.058 0 CA-C-O 118.865 -0.964 . . . . 1.0 114.544 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.697 ' O ' HD23 ' A' ' 20' ' ' LEU . 43.5 m -73.25 97.35 2.43 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 115.786 -2.366 . . . . 1.0 110.081 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 93.96 0.05 Allowed 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 110.54 -3.027 . . . . 1.0 111.655 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.928 HD21 ' HA ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER 179.53 150.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.466 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.0 -154.88 25.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.816 -0.707 . . . . 1.0 113.114 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.81 145.18 4.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.851 -0.674 . . . . 1.0 111.283 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -102.12 153.78 19.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.84 169.7 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-O 122.238 1.018 . . . . 1.0 109.977 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.5 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.934 0 CA-C-N 112.116 -2.311 . . . . 1.0 112.538 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ILE . 31.7 t70 -138.19 11.25 2.81 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 108.936 -3.632 . . . . 1.0 108.942 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 17.9 tttt -104.96 170.32 7.94 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 122.792 1.282 . . . . 1.0 111.628 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -175.78 131.09 0.26 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 112.223 -2.262 . . . . 1.0 110.731 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -171.85 146.75 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.173 0.511 . . . . 1.0 111.506 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 59.1 m -60.88 170.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.487 -0.778 . . . . 1.0 110.462 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.85 29.11 1.4 Allowed 'General case' 0 N--CA 1.416 -2.161 0 CA-C-O 120.803 0.335 . . . . 1.0 111.461 -179.219 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.98 16.96 54.06 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.405 -0.902 . . . . 1.0 111.705 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.928 ' HA ' HD21 ' A' ' 20' ' ' LEU . 43.0 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.773 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.765 0.316 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.752 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.32 154.48 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.935 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.47 81.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 48.45 81.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.752 HD23 ' CE1' ' A' ' 2' ' ' PHE . 0.4 OUTLIER -70.58 -61.59 1.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.151 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.88 -62.6 0.97 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.08 0.467 . . . . 1.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -42.23 41.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.058 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.06 -48.46 73.44 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.481 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -44.15 -41.72 5.87 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.375 178.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -56.37 19.47 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.676 -1.147 . . . . 1.0 109.874 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -59.2 -23.85 62.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.722 -1.126 . . . . 1.0 110.609 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -38.47 64.7 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.328 0.585 . . . . 1.0 109.746 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.3 39.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.092 -0.958 . . . . 1.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.42 -66.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.884 0.373 . . . . 1.0 110.543 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -48.73 78.76 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD22 ' OXT' ' A' ' 33' ' ' CYS . 1.2 mt -124.41 -168.09 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.1 -9.11 7.53 Favored Glycine 0 CA--C 1.477 -2.328 0 C-N-CA 120.663 -0.779 . . . . 1.0 113.591 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.1 m -83.55 97.4 9.02 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 116.374 -2.13 . . . . 1.0 109.456 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.62 -29.81 0.81 Allowed 'General case' 0 C--N 1.275 -2.646 0 CA-C-N 110.757 -2.929 . . . . 1.0 111.66 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 21' ' ' GLY . 38.2 tp -80.92 156.5 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.094 0.473 . . . . 1.0 110.834 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 20' ' ' LEU . . . 170.47 -155.19 24.52 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.663 -0.699 . . . . 1.0 113.066 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -159.03 144.73 16.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.924 -0.638 . . . . 1.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' HD13 ' A' ' 24' ' ' ILE . 50.0 t -102.96 154.59 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.026 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.13 172.08 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 122.321 1.057 . . . . 1.0 110.047 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.16 -66.3 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.9 -2.409 . . . . 1.0 112.136 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.3 m-20 -139.16 11.61 2.6 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 108.99 -3.605 . . . . 1.0 108.96 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 12.6 tttt -105.37 170.5 7.84 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.872 1.32 . . . . 1.0 111.798 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 t -170.09 128.24 0.88 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 112.074 -2.33 . . . . 1.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -157.18 145.46 19.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 1.0 111.438 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 73.3 m -67.78 175.3 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -84.22 0.37 Allowed 'General case' 0 N--CA 1.415 -2.177 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.769 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.41 -19.38 57.57 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.759 -0.734 . . . . 1.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.707 ' OXT' HD22 ' A' ' 16' ' ' LEU . 20.1 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.37 -0.824 . . . . 1.0 111.241 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.816 0.341 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.47 154.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.15 83.35 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 43.01 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -68.5 -54.95 13.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.189 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 22.2 mtm180 -42.33 -61.66 1.14 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.176 0.513 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mmm -50.84 -42.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.086 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -56.24 -45.4 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.25 -40.9 12.22 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.494 -0.776 . . . . 1.0 109.889 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.88 -55.01 22.68 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.83 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.02 -31.47 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.629 -1.168 . . . . 1.0 110.413 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -77.25 -39.23 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.631 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -71.45 -35.93 71.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.934 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.18 -47.84 17.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.476 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.8 t -55.13 -63.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.65 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -166.07 -172.2 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.478 0.547 . . . . 1.0 112.478 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.17 54.43 1.85 Allowed Glycine 0 CA--C 1.469 -2.833 0 CA-C-N 115.767 -0.651 . . . . 1.0 113.128 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 63.6 m -108.54 96.08 6.1 Favored 'General case' 0 N--CA 1.41 -2.434 0 CA-C-O 124.129 1.919 . . . . 1.0 109.409 174.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.4 27.41 Favored 'General case' 0 C--N 1.259 -3.36 0 CA-C-N 109.901 -3.318 . . . . 1.0 111.998 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.54 160.61 40.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.716 0.77 . . . . 1.0 112.271 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . -169.74 -156.1 10.64 Favored Glycine 0 N--CA 1.425 -2.1 0 CA-C-N 114.61 -1.177 . . . . 1.0 113.02 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -160.97 145.49 13.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.024 -0.588 . . . . 1.0 111.774 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.85 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.4 t -108.21 153.51 23.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.749 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -136.15 171.74 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 CA-C-O 122.364 1.078 . . . . 1.0 110.196 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -9.77 -66.29 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.926 -2.397 . . . . 1.0 112.181 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -138.62 11.4 2.71 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 108.987 -3.606 . . . . 1.0 109.011 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 14.1 tttm -104.7 170.31 7.95 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-O 122.855 1.312 . . . . 1.0 111.751 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 38.2 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 112.1 -2.318 . . . . 1.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.17 144.18 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.086 0.469 . . . . 1.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 44.8 m -66.16 171.35 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' C ' ' H ' ' A' ' 33' ' ' CYS . 3.7 m-85 -167.44 154.36 8.4 Favored 'General case' 0 N--CA 1.415 -2.222 0 CA-C-O 120.711 0.291 . . . . 1.0 111.102 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 -33.02 0.31 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.384 -0.913 . . . . 1.0 112.986 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' A' ' 31' ' ' TYR . 31.3 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.213 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.793 0.33 . . . . 1.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.33 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 79.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 46.11 81.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -76.91 -49.98 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.34 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -42.36 -63.02 0.82 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.209 0.528 . . . . 1.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -40.02 63.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.269 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -43.77 77.67 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.814 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -47.72 -41.5 23.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.836 178.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -53.19 32.4 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.898 -1.046 . . . . 1.0 110.001 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -46.97 -36.16 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.475 -1.239 . . . . 1.0 110.406 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -44.0 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.462 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 12.7 ttm180 -60.49 -48.57 81.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.838 -1.074 . . . . 1.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -71.58 -54.71 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.0 t -53.59 -50.29 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.366 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -139.08 -79.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.333 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 13' ' ' ARG . . . 146.89 -9.88 1.36 Allowed Glycine 0 CA--C 1.477 -2.296 0 C-N-CA 120.677 -0.773 . . . . 1.0 113.617 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 75.7 m -80.49 97.12 6.99 Favored 'General case' 0 N--CA 1.421 -1.909 0 C-N-CA 116.254 -2.179 . . . . 1.0 109.782 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -50.57 86.8 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.704 0 CA-C-N 110.86 -2.882 . . . . 1.0 111.407 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 21' ' ' GLY . 5.8 tp -178.6 133.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.574 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 171.2 -155.32 24.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.072 -0.585 . . . . 1.0 113.144 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -169.1 147.33 3.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -0.647 . . . . 1.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.1 t -102.58 153.48 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -137.45 170.04 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-O 122.299 1.047 . . . . 1.0 110.109 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.83 -65.85 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.944 0 CA-C-N 112.064 -2.334 . . . . 1.0 112.552 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.8 m-20 -137.05 10.66 3.06 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 109.009 -3.595 . . . . 1.0 108.982 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.9 ttpp -102.42 170.01 8.32 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 122.898 1.332 . . . . 1.0 111.777 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 48.8 t -176.77 125.48 0.16 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 112.035 -2.348 . . . . 1.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 149.04 1.08 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.306 0.574 . . . . 1.0 111.567 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.548 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.2 m -58.06 166.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.184 -0.917 . . . . 1.0 110.192 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -93.87 -81.91 0.36 Allowed 'General case' 0 N--CA 1.415 -2.18 0 CA-C-O 121.183 0.516 . . . . 1.0 111.18 -178.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.35 15.36 3.44 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.459 -0.792 . . . . 1.0 111.397 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 18' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.434 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.848 0.356 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -163.86 154.51 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.982 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.78 82.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 54.12 81.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 2' ' ' PHE . 1.8 tm? -74.62 -67.01 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.285 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.96 -60.2 1.48 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.025 0.44 . . . . 1.0 110.597 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpp -52.34 -43.14 64.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -56.88 -42.38 79.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -48.09 -41.41 26.16 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.456 0.646 . . . . 1.0 109.628 178.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -50.61 -53.29 31.86 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.876 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -47.43 -34.31 7.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.424 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -72.68 -46.05 55.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -57.53 -46.8 83.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.118 -0.947 . . . . 1.0 110.49 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.91 -54.26 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.534 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' HD22 ' A' ' 16' ' ' LEU . 32.5 t -57.8 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.7 mm? -122.74 -82.75 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.188 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 145.7 -2.47 1.06 Allowed Glycine 0 CA--C 1.476 -2.397 0 CA-C-O 119.024 -0.875 . . . . 1.0 114.114 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.6 m -88.49 97.96 11.37 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 116.248 -2.181 . . . . 1.0 109.837 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.38 83.01 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 110.595 -3.002 . . . . 1.0 111.973 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 173.8 149.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.795 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 167.98 -154.78 25.06 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.942 -0.647 . . . . 1.0 113.003 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.49 144.59 22.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.956 -0.622 . . . . 1.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 8.2 t -106.01 153.29 22.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.788 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.75 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.99 169.38 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 122.236 1.017 . . . . 1.0 109.865 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.564 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.25 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.878 0 CA-C-N 112.144 -2.298 . . . . 1.0 112.492 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' ILE . 23.5 t0 -138.92 11.65 2.65 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 108.88 -3.66 . . . . 1.0 108.907 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.75 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.1 ttmt -105.86 170.43 7.91 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 122.797 1.284 . . . . 1.0 111.532 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -173.71 134.95 0.5 Allowed 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 112.238 -2.256 . . . . 1.0 110.938 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -168.18 146.2 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 1.0 111.222 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 29.4 m -58.95 167.46 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.421 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.88 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -75.95 -86.14 0.05 OUTLIER 'General case' 0 N--CA 1.424 -1.74 0 CA-C-O 121.025 0.441 . . . . 1.0 110.573 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.19 7.72 54.77 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.206 -0.902 . . . . 1.0 110.948 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.43 149.26 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 80.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.56 80.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -80.87 -52.53 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.42 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -43.05 -62.5 1.02 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.096 0.474 . . . . 1.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 8' ' ' CYS . 8.8 ptp -55.97 -37.14 68.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.309 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.24 -41.74 80.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.662 -0.496 . . . . 1.0 109.662 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -46.89 -41.5 15.96 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.742 -0.663 . . . . 1.0 109.85 178.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -51.48 -54.0 31.51 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.949 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -47.96 -34.5 9.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.589 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -75.04 -43.48 53.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.38 0.61 . . . . 1.0 109.53 179.038 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -61.89 -46.11 90.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.066 -0.97 . . . . 1.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HD2' HD12 ' A' ' 10' ' ' LEU . 13.8 mttt -72.38 -53.59 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.585 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -55.15 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 33' ' ' CYS . 39.4 mt -139.38 -77.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.352 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 140.21 7.01 0.98 Allowed Glycine 0 CA--C 1.478 -2.235 0 C-N-CA 120.676 -0.773 . . . . 1.0 114.041 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 39.4 m -86.69 97.3 10.5 Favored 'General case' 0 N--CA 1.421 -1.895 0 C-N-CA 116.625 -2.03 . . . . 1.0 109.714 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -51.32 76.69 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.703 0 CA-C-N 110.482 -3.054 . . . . 1.0 111.794 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 9.6 tp 179.4 140.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.22 -154.82 24.59 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 121.056 -0.593 . . . . 1.0 112.952 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -157.15 141.96 16.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.974 -0.613 . . . . 1.0 111.208 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 52.4 t -103.78 153.79 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.795 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -136.62 169.92 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-O 122.256 1.027 . . . . 1.0 110.057 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.72 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.919 0 CA-C-N 112.105 -2.316 . . . . 1.0 112.576 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.9 m-20 -137.62 10.97 2.94 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 108.903 -3.648 . . . . 1.0 108.993 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -104.54 170.02 8.13 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.769 1.271 . . . . 1.0 111.521 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -177.64 132.87 0.16 Allowed 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 112.227 -2.26 . . . . 1.0 110.755 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -169.1 144.14 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.05 0.452 . . . . 1.0 111.634 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.9 m -70.58 174.27 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 1.9 m-85 -82.75 47.88 1.26 Allowed 'General case' 0 N--CA 1.422 -1.83 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.59 13.6 31.85 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.309 -0.948 . . . . 1.0 111.685 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.679 ' HB2' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.809 0.337 . . . . 1.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.804 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -176.33 153.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.09 81.86 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 52.72 82.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.804 HD23 ' CE1' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -72.26 -60.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.96 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.28 -60.89 1.32 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.979 0.418 . . . . 1.0 110.487 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 tpp -50.42 -43.69 54.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.013 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -45.71 75.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.612 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.3 -41.56 19.32 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.907 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.67 -53.61 29.72 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.872 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -46.98 -34.07 5.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.483 -1.235 . . . . 1.0 110.368 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -73.13 -46.52 50.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.39 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 2.2 tpt180 -57.03 -45.58 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.087 -0.961 . . . . 1.0 110.49 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -54.74 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' HD22 ' A' ' 16' ' ' LEU . 44.1 t -58.62 -64.7 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.223 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 15' ' ' SER . 4.4 mm? -119.18 -84.24 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.285 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 147.5 -6.09 1.04 Allowed Glycine 0 CA--C 1.474 -2.486 0 CA-C-O 119.042 -0.866 . . . . 1.0 114.064 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 20' ' ' LEU . 7.5 m -86.65 98.06 10.91 Favored 'General case' 0 N--CA 1.42 -1.941 0 C-N-CA 116.153 -2.219 . . . . 1.0 109.77 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.63 83.69 0.0 OUTLIER 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 110.657 -2.974 . . . . 1.0 112.154 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 174.71 145.76 0.06 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.818 179.664 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.16 -154.89 25.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.913 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 143.96 16.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.958 -0.621 . . . . 1.0 111.292 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -105.64 153.54 21.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.675 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -135.52 172.26 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.25 0 CA-C-O 122.403 1.097 . . . . 1.0 110.234 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.65 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.39 -66.24 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.837 0 CA-C-N 111.832 -2.44 . . . . 1.0 112.174 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ILE . 12.9 t70 -138.29 11.2 2.79 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.974 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.4 ttmm -103.92 170.06 8.14 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.856 1.312 . . . . 1.0 111.631 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 44.7 t -172.92 133.08 0.54 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 112.139 -2.301 . . . . 1.0 110.692 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -169.89 146.42 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 1.0 111.325 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 36.6 m -59.46 168.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.47 -0.787 . . . . 1.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.924 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.5 m-85 -76.98 -83.24 0.07 Allowed 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 121.09 0.471 . . . . 1.0 110.607 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.4 8.05 37.51 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.121 -0.943 . . . . 1.0 111.016 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.929 ' CE1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER 61.45 154.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.47 77.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 37.27 76.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.253 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.929 HD12 ' CE1' ' A' ' 2' ' ' PHE . 0.4 OUTLIER -81.75 -42.98 19.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.283 -0.871 . . . . 1.0 111.201 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.4 tmm_? -41.75 -59.87 1.53 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.41 -45.02 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.822 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -44.54 84.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.65 -40.46 13.16 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.341 -0.845 . . . . 1.0 109.762 178.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -55.07 22.82 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.784 -1.098 . . . . 1.0 109.905 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -50.4 -34.98 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.356 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.97 -40.99 60.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.417 178.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.2 -58.02 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.81 -1.087 . . . . 1.0 110.586 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -58.42 -50.84 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.697 ' O ' HD23 ' A' ' 16' ' ' LEU . 45.1 t -56.19 -62.55 1.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 15' ' ' SER . 27.3 mt -144.54 -163.12 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 1.0 111.391 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.57 44.3 1.52 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.968 -0.634 . . . . 1.0 112.009 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 20' ' ' LEU . 40.9 t -126.41 27.78 6.11 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 125.488 2.565 . . . . 1.0 110.662 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -14.91 -43.59 0.0 OUTLIER 'General case' 1 C--N 1.225 -4.842 1 CA-C-N 106.416 -4.902 . . . . 1.0 113.976 -179.869 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.4 mm? -43.09 156.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.105 0.479 . . . . 1.0 111.604 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 170.42 -155.62 25.35 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.991 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -176.02 145.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.028 -0.586 . . . . 1.0 111.662 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.851 ' O ' HD13 ' A' ' 24' ' ' ILE . 49.7 t -104.3 153.65 20.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.73 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.01 172.17 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.244 0 CA-C-O 122.34 1.067 . . . . 1.0 110.208 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.28 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.859 0 CA-C-N 111.924 -2.398 . . . . 1.0 112.138 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.7 t0 -138.87 11.48 2.66 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 109.051 -3.574 . . . . 1.0 108.904 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.623 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 3.4 ttpt -104.88 170.3 7.95 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-O 122.83 1.3 . . . . 1.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.28 132.86 0.81 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 112.183 -2.281 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.17 144.85 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 76.3 m -63.69 -177.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.511 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.52 61.29 0.93 Allowed 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 121.078 0.466 . . . . 1.0 109.945 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.94 7.65 56.44 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.157 -1.02 . . . . 1.0 111.021 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.229 -0.891 . . . . 1.0 110.827 -179.761 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.705 ' HA ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.761 0.315 . . . . 1.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -132.62 147.66 52.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.833 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 33.99 78.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.78 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 41.82 80.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.236 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 1' ' ' ALA . 1.1 tt -75.7 -57.5 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.152 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.9 tmm_? -42.04 -61.37 1.16 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.112 0.482 . . . . 1.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.38 -43.52 54.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.0 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.62 -45.84 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.4 mt-30 -46.57 -41.28 14.19 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.496 -0.774 . . . . 1.0 109.845 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -54.59 26.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.921 -1.036 . . . . 1.0 109.853 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 41.0 t -47.08 -34.1 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.532 -1.213 . . . . 1.0 110.342 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.54 -44.23 29.31 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 178.331 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -55.09 -42.73 73.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.062 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -80.14 -55.32 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.416 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' SER . 27.3 t -61.21 -66.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.486 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -118.31 -86.56 0.64 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.545 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 154.27 6.95 0.09 OUTLIER Glycine 0 CA--C 1.481 -2.058 0 C-N-CA 120.306 -0.949 . . . . 1.0 114.667 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -89.31 96.9 10.91 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 116.559 -2.057 . . . . 1.0 109.94 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.34 -28.09 1.23 Allowed 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 110.618 -2.992 . . . . 1.0 112.053 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -87.83 156.57 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 1.0 111.107 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.92 -155.31 25.07 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.548 -0.751 . . . . 1.0 113.035 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HE3' ' CZ ' ' A' ' 2' ' ' PHE . 8.9 mmmm -151.73 142.81 23.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.944 -0.628 . . . . 1.0 111.173 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' C ' HD12 ' A' ' 24' ' ' ILE . 17.7 t -110.1 152.8 25.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.4 mp -135.97 169.6 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 CA-C-O 122.069 0.937 . . . . 1.0 109.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.15 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.055 0 CA-C-N 112.349 -2.205 . . . . 1.0 112.314 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.6 m-20 -140.81 11.79 2.25 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 108.656 -3.772 . . . . 1.0 109.25 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.803 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.82 170.59 7.81 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.862 1.315 . . . . 1.0 111.74 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.46 134.68 4.02 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 112.038 -2.346 . . . . 1.0 110.648 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 130.18 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 1.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -70.72 168.47 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.632 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.7 m-85 -81.78 -83.48 0.12 Allowed 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 120.921 0.391 . . . . 1.0 111.014 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.05 -6.15 82.04 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.557 -0.83 . . . . 1.0 111.858 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.554 ' O ' HD13 ' A' ' 16' ' ' LEU . 86.8 m . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.821 0.343 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -138.48 153.24 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.08 77.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.512 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 42.25 78.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 1.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -78.73 -67.18 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.137 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.78 -58.63 1.93 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.899 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -50.07 -46.05 53.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -44.55 80.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.38 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.97 -40.86 23.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.808 178.738 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.18 -53.46 34.66 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 114.824 -1.08 . . . . 1.0 110.039 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 20.8 p -47.87 -36.64 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.603 -1.181 . . . . 1.0 110.484 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.31 -40.75 43.21 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.656 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.72 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.322 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -73.17 -55.71 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.527 ' C ' HD12 ' A' ' 16' ' ' LEU . 31.2 t -55.94 -46.05 78.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.24 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 15' ' ' SER . 4.8 mp -147.15 -88.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.458 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 159.19 44.68 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.559 0 C-N-CA 120.636 -0.792 . . . . 1.0 113.597 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.93 95.76 5.74 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-O 124.28 1.99 . . . . 1.0 110.236 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.0 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.267 -3.011 0 CA-C-N 109.655 -3.43 . . . . 1.0 112.287 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -58.25 157.35 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 1.0 111.438 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.719 ' H ' HD13 ' A' ' 20' ' ' LEU . . . 173.83 -155.69 22.38 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 115.445 -0.798 . . . . 1.0 113.26 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -151.73 141.04 21.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.887 -0.656 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.798 ' O ' HD13 ' A' ' 24' ' ' ILE . 44.1 t -107.69 154.35 21.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.046 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -133.5 172.1 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.322 0 CA-C-O 122.293 1.044 . . . . 1.0 109.99 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.07 -66.42 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.866 0 CA-C-N 112.015 -2.357 . . . . 1.0 111.91 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 p30 -140.4 12.24 2.35 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 109.001 -3.6 . . . . 1.0 108.939 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 32.4 tttt -105.65 170.45 7.88 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 122.911 1.339 . . . . 1.0 111.88 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.78 133.06 9.84 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.075 -2.33 . . . . 1.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 129.88 14.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.981 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 8.9 m -79.84 168.46 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.469 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -156.03 -47.03 0.08 Allowed 'General case' 0 N--CA 1.415 -2.189 0 CA-C-O 120.907 0.384 . . . . 1.0 111.867 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 20' ' ' LEU . . . -42.47 -28.95 0.64 Allowed Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.889 -0.596 . . . . 1.0 113.295 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.679 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.823 0.344 . . . . 1.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.63 149.26 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.56 78.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 41.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -78.45 -60.37 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.062 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 37.1 mtm180 -42.18 -61.13 1.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.45 . . . . 1.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.35 -44.31 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.84 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -54.87 -47.52 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.43 178.602 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.1 mt-30 -46.12 -41.18 12.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.113 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.99 -54.54 28.59 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.93 -1.032 . . . . 1.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.1 p -48.98 -36.04 16.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.59 -1.186 . . . . 1.0 110.625 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -78.31 -39.12 40.66 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.51 0.672 . . . . 1.0 109.196 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.85 -47.79 84.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.905 -1.043 . . . . 1.0 110.086 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -73.39 -55.08 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.133 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.793 ' C ' HD22 ' A' ' 16' ' ' LEU . 33.2 t -56.13 -58.85 6.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.142 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 15' ' ' SER . 3.7 mm? -133.65 -89.24 0.39 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.563 -0.289 . . . . 1.0 111.431 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 163.07 38.26 0.02 OUTLIER Glycine 0 CA--C 1.475 -2.414 0 C-N-CA 120.679 -0.772 . . . . 1.0 113.824 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.4 m -105.79 95.91 6.12 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 124.255 1.979 . . . . 1.0 110.049 174.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.36 -46.53 76.44 Favored 'General case' 0 C--N 1.266 -3.023 0 CA-C-N 109.664 -3.426 . . . . 1.0 112.332 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -86.3 154.33 21.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.128 0.49 . . . . 1.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 176.35 -155.27 18.61 Favored Glycine 0 N--CA 1.434 -1.468 0 CA-C-N 115.745 -0.662 . . . . 1.0 113.403 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -147.97 142.01 25.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.845 -0.678 . . . . 1.0 111.161 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -113.53 152.73 29.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.771 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.3 mt -137.06 172.08 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.212 0 CA-C-O 122.359 1.076 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.05 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.925 0 CA-C-N 111.857 -2.428 . . . . 1.0 112.211 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.5 p30 -138.23 11.11 2.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 109.039 -3.58 . . . . 1.0 109.009 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.3 ttmt -102.32 169.93 8.39 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 122.906 1.336 . . . . 1.0 111.836 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -169.25 132.12 1.26 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 112.081 -2.327 . . . . 1.0 110.555 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -160.31 130.55 5.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.914 0.388 . . . . 1.0 111.28 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.7 m -77.66 161.57 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.157 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.549 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.6 m-85 -158.9 118.52 3.09 Favored 'General case' 0 N--CA 1.415 -2.224 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.98 -39.03 3.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.58 -0.819 . . . . 1.0 113.136 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.6 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.73 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.822 0.344 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.37 149.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.66 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.069 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.33 82.43 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -73.46 -63.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.243 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 24.8 ttt180 -42.81 -62.95 0.87 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.146 0.498 . . . . 1.0 110.095 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.6 tpp -52.07 -40.25 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.316 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -45.22 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -45.7 -41.4 10.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.857 178.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.49 -55.01 24.92 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.895 -1.048 . . . . 1.0 109.963 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 38.4 m -50.18 -29.3 9.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.581 -1.191 . . . . 1.0 110.535 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -79.16 -43.47 23.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 178.683 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.41 -38.52 71.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.114 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -55.32 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.806 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.3 t -62.68 -68.09 0.36 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.575 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.6 mt -153.3 134.29 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.264 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.27 51.22 2.48 Favored Glycine 0 CA--C 1.479 -2.194 0 N-CA-C 114.724 0.649 . . . . 1.0 114.724 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -117.64 95.48 4.96 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 123.938 1.828 . . . . 1.0 109.725 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.85 -33.46 0.08 Allowed 'General case' 0 C--N 1.269 -2.912 0 CA-C-N 109.977 -3.283 . . . . 1.0 112.191 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.974 HD12 ' HB3' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -76.69 156.36 32.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.169 0.509 . . . . 1.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 165.27 -154.51 25.3 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.535 -0.757 . . . . 1.0 112.638 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -158.52 142.42 15.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.081 -0.559 . . . . 1.0 111.67 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 18.0 t -117.62 146.43 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.701 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -138.56 171.21 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.974 0 CA-C-O 122.621 1.201 . . . . 1.0 110.441 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.61 -65.1 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.81 0 CA-C-N 111.745 -2.479 . . . . 1.0 113.261 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -130.69 7.63 4.83 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-N 109.513 -3.343 . . . . 1.0 108.882 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.765 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -94.41 169.84 9.92 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.84 1.305 . . . . 1.0 111.717 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.9 t 176.74 121.27 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.062 -2.335 . . . . 1.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 142.53 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 5.5 m -63.46 -163.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.944 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.974 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -133.49 29.74 3.89 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 120.846 0.355 . . . . 1.0 111.73 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.95 32.25 1.4 Allowed Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.198 -0.525 . . . . 1.0 113.135 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.857 ' CA ' HD11 ' A' ' 20' ' ' LEU . 66.8 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.866 0.365 . . . . 1.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.61 ' CZ ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -140.45 153.6 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.909 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.34 80.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 45.63 80.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 2' ' ' PHE . 1.2 tt -75.59 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -41.64 -60.43 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.087 0.47 . . . . 1.0 110.585 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 ttt -50.57 -44.67 56.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.965 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.37 -44.89 76.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.53 178.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -47.5 -41.92 21.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.882 178.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.76 -53.2 33.69 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.935 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.0 t -49.9 -28.3 6.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.817 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -46.82 57.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.239 0.542 . . . . 1.0 110.064 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -44.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -53.29 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t -58.09 -64.47 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 33' ' ' CYS . 9.1 mt -119.52 -83.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.17 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.32 -20.16 0.83 Allowed Glycine 0 CA--C 1.478 -2.261 0 CA-C-O 119.021 -0.877 . . . . 1.0 113.64 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 50.3 m -76.77 97.46 4.51 Favored 'General case' 0 N--CA 1.423 -1.815 0 C-N-CA 115.9 -2.32 . . . . 1.0 109.767 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -49.99 87.38 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 110.733 -2.94 . . . . 1.0 111.422 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.37 150.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 164.24 -154.87 25.96 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.802 -0.714 . . . . 1.0 113.058 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -167.53 142.93 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.812 -0.694 . . . . 1.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -100.89 154.52 18.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.754 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -135.52 169.49 20.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 CA-C-O 122.151 0.977 . . . . 1.0 109.878 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.12 -66.02 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 112.197 -2.274 . . . . 1.0 112.419 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 7.2 t70 -138.9 11.55 2.65 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 108.837 -3.681 . . . . 1.0 108.975 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.1 ttmt -104.69 170.31 7.95 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 122.865 1.317 . . . . 1.0 111.778 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -171.48 128.97 0.68 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 112.103 -2.317 . . . . 1.0 110.57 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -163.16 143.72 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 1.0 111.279 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.512 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 65.8 m -68.49 171.15 7.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 9.3 m-85 -83.2 54.76 2.89 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.032 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.6 -5.42 81.57 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 1.0 112.006 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.707 ' HA ' HD13 ' A' ' 16' ' ' LEU . 35.9 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.231 -0.89 . . . . 1.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 1.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -87.52 149.24 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.57 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 48.74 82.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tm? -73.4 -66.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.64 -61.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.086 0.47 . . . . 1.0 110.418 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttm -51.45 -41.6 60.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.321 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -56.09 -45.25 79.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 178.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -45.63 -41.32 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.813 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -55.11 25.03 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.995 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.478 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -79.22 -42.52 25.79 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.5 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -56.55 -40.75 75.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -82.29 -54.84 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.446 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 16' ' ' LEU . 23.8 t -61.59 -67.1 0.44 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.4 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -159.47 137.07 9.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.834 0.349 . . . . 1.0 111.3 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 53.15 1.75 Allowed Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 114.664 0.626 . . . . 1.0 114.664 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 56.6 m -117.05 95.42 4.99 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 123.825 1.774 . . . . 1.0 109.409 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.88 -27.8 0.57 Allowed 'General case' 0 C--N 1.26 -3.313 0 CA-C-N 110.362 -3.108 . . . . 1.0 111.615 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD23 ' H ' ' A' ' 32' ' ' GLY . 35.8 tp -76.84 153.69 34.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.446 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 160.39 -154.23 25.23 Favored Glycine 0 CA--C 1.503 -0.662 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.434 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -161.18 145.52 13.45 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.212 0.53 . . . . 1.0 111.879 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 16.0 t -117.61 145.79 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.591 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.794 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.09 171.3 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 CA-C-O 122.56 1.172 . . . . 1.0 110.403 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.5 -65.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 111.698 -2.501 . . . . 1.0 113.225 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.06 7.77 4.69 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 109.466 -3.367 . . . . 1.0 108.876 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.0 tttp -95.55 169.68 9.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 122.825 1.298 . . . . 1.0 111.609 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 43.9 t 174.31 124.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 112.041 -2.345 . . . . 1.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.92 142.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 1.0 111.454 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.0 m -67.54 -173.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.9 OUTLIER -145.28 -97.64 0.1 Allowed 'General case' 0 N--CA 1.42 -1.955 0 N-CA-C 112.556 0.576 . . . . 1.0 112.556 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.605 ' H ' HD23 ' A' ' 20' ' ' LEU . . . -125.79 36.69 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.26 -0.971 . . . . 1.0 113.067 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 18' ' ' CYS . 1.8 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.255 -0.878 . . . . 1.0 110.775 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 1.0 111.065 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.34 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 79.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.7 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 44.73 79.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.729 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.14 -50.45 16.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.644 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.6 ttp85 -43.78 -64.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.1 0.476 . . . . 1.0 110.276 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.9 ptm -53.21 -37.1 61.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.291 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -56.45 -45.92 80.57 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -43.99 -41.52 5.43 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.46 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -53.86 -57.17 11.9 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 114.737 -1.12 . . . . 1.0 109.697 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -26.44 60.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.588 -1.187 . . . . 1.0 110.371 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -76.19 -39.74 54.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.737 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -65.68 -51.85 56.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.957 -1.019 . . . . 1.0 110.164 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.19 -50.3 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.954 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -55.24 -60.48 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.543 . . . . 1.0 111.125 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mt -153.47 131.76 11.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 1.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.25 -25.48 0.15 Allowed Glycine 0 CA--C 1.479 -2.194 0 CA-C-O 118.877 -0.957 . . . . 1.0 114.435 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' CB ' ' HA ' ' A' ' 33' ' ' CYS . 35.2 m -74.01 97.79 2.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.639 -2.424 . . . . 1.0 109.833 177.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.16 -29.26 30.43 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-N 110.579 -3.009 . . . . 1.0 111.933 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 150.51 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.31 -155.22 25.73 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.873 -0.679 . . . . 1.0 113.241 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.27 145.86 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.852 -0.674 . . . . 1.0 111.221 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.3 t -101.92 153.55 19.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.746 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -136.8 169.93 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 122.261 1.029 . . . . 1.0 110.102 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.65 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.938 0 CA-C-N 112.038 -2.346 . . . . 1.0 112.57 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.4 p30 -137.49 10.9 2.96 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 108.977 -3.611 . . . . 1.0 108.97 178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.3 tttt -103.2 170.11 8.15 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 122.853 1.311 . . . . 1.0 111.779 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 46.1 t -176.33 125.76 0.19 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 112.131 -2.304 . . . . 1.0 110.641 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -172.17 147.53 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.187 0.518 . . . . 1.0 111.468 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 79.1 m -60.31 173.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.542 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.16 45.04 1.18 Allowed 'General case' 0 N--CA 1.42 -1.969 0 CA-C-O 120.796 0.332 . . . . 1.0 111.339 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.62 17.08 32.45 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.355 -0.926 . . . . 1.0 111.7 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.797 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.793 0.33 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 63.16 140.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.25 94.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.39 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m120 47.59 81.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -75.39 -67.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.23 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -41.98 -60.97 1.24 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.139 0.495 . . . . 1.0 110.602 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.9 ttm -51.99 -42.69 63.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.296 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -56.91 -43.36 81.3 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.585 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -46.19 -41.7 13.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.687 178.528 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.79 -55.08 21.96 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.708 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -53.56 -27.25 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.505 -1.225 . . . . 1.0 110.375 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -77.49 -42.6 35.16 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.959 -0.756 . . . . 1.0 108.959 178.562 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -42.49 88.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.21 -0.905 . . . . 1.0 110.034 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -78.34 -53.29 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -60.23 -66.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.211 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -161.96 135.84 6.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.984 0.421 . . . . 1.0 111.258 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.37 55.35 0.64 Allowed Glycine 0 CA--C 1.481 -2.06 0 N-CA-C 115.103 0.801 . . . . 1.0 115.103 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' HB2' ' OXT' ' A' ' 33' ' ' CYS . 44.8 m -114.61 95.39 5.22 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-O 123.878 1.799 . . . . 1.0 109.528 173.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.42 -30.57 0.34 Allowed 'General case' 0 C--N 1.269 -2.913 0 CA-C-N 110.108 -3.224 . . . . 1.0 111.629 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 31' ' ' TYR . 3.2 mm? -75.14 158.31 33.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 1.0 111.224 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.55 -155.61 25.86 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.284 -0.871 . . . . 1.0 112.577 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -176.22 145.6 0.62 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.128 -0.536 . . . . 1.0 111.755 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.59 151.71 24.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.267 179.388 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mp -135.91 169.63 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 CA-C-O 122.125 0.964 . . . . 1.0 110.194 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.28 -66.15 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.087 0 CA-C-N 112.249 -2.25 . . . . 1.0 112.503 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.6 t0 -139.72 11.41 2.47 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 108.716 -3.742 . . . . 1.0 109.184 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.3 ttmt -105.98 170.61 7.8 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 122.872 1.32 . . . . 1.0 111.404 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -170.86 135.2 1.05 Allowed 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 112.095 -2.321 . . . . 1.0 110.71 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.99 144.97 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.073 0.463 . . . . 1.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 10.8 m -62.85 -173.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.54 58.44 3.2 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-O 121.117 0.484 . . . . 1.0 110.668 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.99 -4.27 76.38 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.452 -0.88 . . . . 1.0 111.788 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.447 ' OXT' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.156 -0.926 . . . . 1.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 1.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.793 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER 61.45 153.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.31 81.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 53.25 82.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD23 ' CE1' ' A' ' 2' ' ' PHE . 0.6 OUTLIER -71.42 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.031 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 1.2 mpt_? -42.14 -61.94 1.05 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.143 0.497 . . . . 1.0 110.385 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.66 -42.8 57.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.137 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.11 -45.9 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 178.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.911 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -46.66 -41.7 15.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.93 178.787 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -53.84 32.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.912 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -34.83 8.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.514 -1.221 . . . . 1.0 110.518 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -44.3 56.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.791 -0.641 . . . . 1.0 109.543 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -60.59 -45.35 94.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.41 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -73.21 -54.02 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 16' ' ' LEU . 46.3 t -57.07 -63.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 15' ' ' SER . 4.3 mm? -122.35 -84.65 0.66 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.11 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.81 -31.75 0.51 Allowed Glycine 0 CA--C 1.476 -2.36 0 CA-C-O 118.885 -0.953 . . . . 1.0 113.606 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -74.07 97.51 2.9 Favored 'General case' 0 N--CA 1.422 -1.83 0 C-N-CA 115.654 -2.418 . . . . 1.0 109.946 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.911 HD13 ' HG2' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -54.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.116 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.541 HD11 ' HD2' ' A' ' 31' ' ' TYR . 8.6 tp 177.65 133.11 0.07 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.211 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 172.19 -154.8 22.29 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.134 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -150.31 143.33 24.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.928 -0.636 . . . . 1.0 111.2 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.9 t -105.21 153.75 21.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.833 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -136.08 172.3 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.242 0 CA-C-O 122.451 1.119 . . . . 1.0 110.223 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.643 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.61 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.905 0 CA-C-N 111.798 -2.456 . . . . 1.0 112.286 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.1 t70 -137.67 10.87 2.92 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 109.119 -3.541 . . . . 1.0 108.94 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.833 ' HD2' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -104.44 170.11 8.09 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.84 1.305 . . . . 1.0 111.54 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.2 t -176.06 131.76 0.24 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 112.225 -2.262 . . . . 1.0 110.68 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.46 144.8 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.139 0.495 . . . . 1.0 111.634 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 11.3 m -67.48 172.81 4.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.258 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -82.13 -82.82 0.13 Allowed 'General case' 0 N--CA 1.42 -1.969 0 CA-C-O 121.235 0.541 . . . . 1.0 110.769 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -121.45 10.06 9.94 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.343 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.202 -0.904 . . . . 1.0 110.901 -179.768 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.854 0.359 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.34 149.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 79.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.788 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 43.76 78.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -82.28 -49.72 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.517 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.42 -62.21 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.203 0.525 . . . . 1.0 110.577 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 ptm -54.26 -39.52 66.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.396 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.61 -42.21 82.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.3 -41.45 13.22 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.662 178.613 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.01 -54.96 23.66 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.817 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -48.49 -31.15 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.537 -1.21 . . . . 1.0 110.492 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.46 -45.59 30.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.52 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.02 -42.87 73.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.286 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -54.71 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.588 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 32.7 t -60.88 -66.16 0.58 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.461 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 mt -135.09 110.24 8.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 1.0 111.412 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.32 -22.43 0.21 Allowed Glycine 0 CA--C 1.48 -2.145 0 CA-C-O 118.862 -0.966 . . . . 1.0 114.568 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 20' ' ' LEU . 58.2 m -73.55 97.37 2.59 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.817 -2.353 . . . . 1.0 110.133 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -61.44 105.62 0.54 Allowed 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.313 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER 168.94 151.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 162.42 -154.83 25.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.664 -0.779 . . . . 1.0 113.249 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -163.34 143.64 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.852 -0.674 . . . . 1.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 51.0 t -102.17 154.74 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.74 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.15 169.46 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 122.195 0.997 . . . . 1.0 109.831 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.22 -65.99 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.891 0 CA-C-N 112.2 -2.273 . . . . 1.0 112.502 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.8 p30 -138.94 11.57 2.64 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 108.816 -3.692 . . . . 1.0 108.968 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.74 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.9 tttm -105.91 170.51 7.86 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 122.829 1.299 . . . . 1.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -173.88 133.37 0.44 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 112.192 -2.276 . . . . 1.0 110.824 179.728 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 144.02 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.249 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 62.2 m -65.22 172.99 2.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.799 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -91.1 28.4 1.62 Allowed 'General case' 0 N--CA 1.416 -2.158 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.36 -179.307 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.84 18.83 54.66 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.361 -0.924 . . . . 1.0 111.544 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.647 ' HA ' HD11 ' A' ' 20' ' ' LEU . 41.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.195 -0.907 . . . . 1.0 110.711 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 61.13 156.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.64 82.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.86 80.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.442 HD22 ' OE1' ' A' ' 9' ' ' GLN . 1.2 tt -77.59 -66.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 2.5 ttm180 -41.89 -60.7 1.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.178 0.514 . . . . 1.0 110.669 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpp -51.29 -43.53 61.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.114 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.39 -44.31 80.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.5 -41.55 14.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.904 178.6 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.23 -54.62 24.01 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.805 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -51.46 -36.47 44.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.52 -1.218 . . . . 1.0 110.402 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -68.14 -42.72 79.73 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -70.07 -29.42 66.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.012 -0.995 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -77.34 -66.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.744 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -63.56 1.19 Allowed 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.962 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.5 mm? -120.09 -93.5 0.52 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.725 -0.216 . . . . 1.0 111.552 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 156.29 -10.48 0.31 Allowed Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 120.296 -0.954 . . . . 1.0 114.357 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.4 m -78.02 97.38 5.36 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 115.858 -2.337 . . . . 1.0 109.997 177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD21 ' HG2' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -33.37 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 110.436 -3.075 . . . . 1.0 112.22 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -56.36 152.61 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 1.0 111.056 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.14 -155.21 26.3 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.194 -0.526 . . . . 1.0 112.849 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -171.57 148.39 2.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.947 -0.626 . . . . 1.0 111.496 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 7.3 t -112.01 152.21 28.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.627 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' HD3' ' A' ' 27' ' ' LYS . 1.2 mt -136.06 172.01 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 CA-C-O 122.405 1.098 . . . . 1.0 110.318 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.13 -66.19 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.928 0 CA-C-N 111.822 -2.444 . . . . 1.0 112.319 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' ILE . 32.4 p30 -138.13 11.14 2.82 Favored 'General case' 0 C--N 1.281 -2.399 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.971 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HD3' HD12 ' A' ' 24' ' ' ILE . 19.4 tttm -103.95 169.97 8.19 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.798 1.285 . . . . 1.0 111.582 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.8 t -173.72 133.35 0.46 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.165 -2.289 . . . . 1.0 110.626 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.14 143.43 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.055 0.455 . . . . 1.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.3 m -66.32 173.08 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.505 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -78.57 60.56 2.71 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-O 121.14 0.495 . . . . 1.0 110.408 -179.468 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.37 -4.56 76.88 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.444 -0.884 . . . . 1.0 111.495 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 1.3 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 1.0 110.774 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 120.908 0.385 . . . . 1.0 111.25 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 48.98 82.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -67.1 -62.66 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 29.1 ttt180 -43.15 -64.02 0.71 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.072 0.463 . . . . 1.0 110.018 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.56 43.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.252 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.69 -48.55 72.28 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -44.7 -41.28 6.64 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.254 -0.884 . . . . 1.0 109.723 178.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.23 -56.07 19.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.758 -1.11 . . . . 1.0 109.948 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.5 m -50.47 -32.34 17.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.366 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -78.7 -40.99 32.21 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 178.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.78 -41.17 86.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.921 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -54.97 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.458 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.4 t -62.03 -68.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.215 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.51 137.5 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.273 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.36 60.7 0.84 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 114.272 0.469 . . . . 1.0 114.272 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 58.8 m -114.24 93.67 4.46 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-O 124.375 2.036 . . . . 1.0 110.471 174.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.97 -32.57 0.09 Allowed 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 109.518 -3.492 . . . . 1.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.625 HD12 ' HD2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -100.19 154.88 18.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 1.0 111.201 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.99 -155.03 25.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.94 -0.648 . . . . 1.0 113.399 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CG ' ' OH ' ' A' ' 31' ' ' TYR . 2.4 mttp -131.74 145.7 51.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.823 -0.689 . . . . 1.0 111.516 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -112.5 151.12 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.772 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -136.4 167.82 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.002 0 CA-C-O 121.934 0.873 . . . . 1.0 109.606 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -7.27 -65.9 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.872 0 CA-C-O 124.488 2.16 . . . . 1.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 m-20 -141.77 13.15 2.09 Favored 'General case' 0 C--N 1.279 -2.472 0 CA-C-N 108.626 -3.787 . . . . 1.0 108.791 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.792 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.9 ttmt -107.99 170.86 7.74 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.915 1.34 . . . . 1.0 111.613 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.83 148.6 24.11 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 112.103 -2.317 . . . . 1.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.06 113.28 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m -72.68 177.53 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.949 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.625 ' HD2' HD12 ' A' ' 20' ' ' LEU . 23.3 m-85 . . . . . 0 N--CA 1.407 -2.619 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.013 0.435 . . . . 1.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 37.33 77.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.262 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.951 HD23 ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -84.94 -36.17 21.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.092 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.951 ' N ' HD23 ' A' ' 5' ' ' LEU . 13.9 ttt85 -42.76 -63.05 0.85 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.501 . . . . 1.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.65 -37.53 68.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.398 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -58.22 -41.25 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.41 -41.36 13.57 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.485 0.66 . . . . 1.0 109.6 178.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.11 -54.92 24.61 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.893 -1.049 . . . . 1.0 109.839 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 p -48.55 -30.07 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.543 -1.208 . . . . 1.0 110.553 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.12 -46.56 28.22 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -53.96 -42.94 69.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.399 -0.818 . . . . 1.0 110.363 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -79.75 -54.82 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.676 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.761 ' C ' HD22 ' A' ' 16' ' ' LEU . 23.1 t -61.37 -66.3 0.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.552 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 15' ' ' SER . 3.9 mm? -132.78 110.86 10.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.954 0.407 . . . . 1.0 111.474 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.66 -22.24 0.24 Allowed Glycine 0 CA--C 1.481 -2.058 0 CA-C-O 118.865 -0.964 . . . . 1.0 114.544 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.697 ' O ' HD23 ' A' ' 20' ' ' LEU . 43.5 m -73.25 97.35 2.43 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 115.786 -2.366 . . . . 1.0 110.081 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 93.96 0.05 Allowed 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 110.54 -3.027 . . . . 1.0 111.655 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.741 HD12 ' HB2' ' A' ' 31' ' ' TYR . 1.0 OUTLIER 179.53 150.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.466 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.0 -154.88 25.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.816 -0.707 . . . . 1.0 113.114 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.81 145.18 4.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.851 -0.674 . . . . 1.0 111.283 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -102.12 153.78 19.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.84 169.7 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-O 122.238 1.018 . . . . 1.0 109.977 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.5 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.934 0 CA-C-N 112.116 -2.311 . . . . 1.0 112.538 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ILE . 31.7 t70 -138.19 11.25 2.81 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 108.936 -3.632 . . . . 1.0 108.942 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 17.9 tttt -104.96 170.32 7.94 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 122.792 1.282 . . . . 1.0 111.628 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -175.78 131.09 0.26 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 112.223 -2.262 . . . . 1.0 110.731 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -171.85 146.75 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.173 0.511 . . . . 1.0 111.506 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 59.1 m -60.88 170.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.487 -0.778 . . . . 1.0 110.462 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.416 -2.161 0 CA-C-O 120.803 0.335 . . . . 1.0 111.461 -179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.016 0.436 . . . . 1.0 110.82 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 48.45 81.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -70.58 -61.59 1.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.151 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.88 -62.6 0.97 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.08 0.467 . . . . 1.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -42.23 41.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.058 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.06 -48.46 73.44 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.481 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -44.15 -41.72 5.87 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.375 178.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -56.37 19.47 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.676 -1.147 . . . . 1.0 109.874 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -59.2 -23.85 62.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.722 -1.126 . . . . 1.0 110.609 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -38.47 64.7 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.328 0.585 . . . . 1.0 109.746 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.3 39.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.092 -0.958 . . . . 1.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.42 -66.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.884 0.373 . . . . 1.0 110.543 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -48.73 78.76 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 mt -124.41 -168.09 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.1 -9.11 7.53 Favored Glycine 0 CA--C 1.477 -2.328 0 C-N-CA 120.663 -0.779 . . . . 1.0 113.591 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.1 m -83.55 97.4 9.02 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 116.374 -2.13 . . . . 1.0 109.456 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.62 -29.81 0.81 Allowed 'General case' 0 C--N 1.275 -2.646 0 CA-C-N 110.757 -2.929 . . . . 1.0 111.66 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 21' ' ' GLY . 38.2 tp -80.92 156.5 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.094 0.473 . . . . 1.0 110.834 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 20' ' ' LEU . . . 170.47 -155.19 24.52 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.663 -0.699 . . . . 1.0 113.066 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -159.03 144.73 16.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.924 -0.638 . . . . 1.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' HD13 ' A' ' 24' ' ' ILE . 50.0 t -102.96 154.59 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.026 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.13 172.08 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 122.321 1.057 . . . . 1.0 110.047 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.16 -66.3 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.9 -2.409 . . . . 1.0 112.136 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.3 m-20 -139.16 11.61 2.6 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 108.99 -3.605 . . . . 1.0 108.96 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 12.6 tttt -105.37 170.5 7.84 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.872 1.32 . . . . 1.0 111.798 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 t -170.09 128.24 0.88 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 112.074 -2.33 . . . . 1.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -157.18 145.46 19.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 1.0 111.438 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 73.3 m -67.78 175.3 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.415 -2.177 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.769 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.706 0.289 . . . . 1.0 110.765 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 43.01 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -68.5 -54.95 13.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.189 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 22.2 mtm180 -42.33 -61.66 1.14 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.176 0.513 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mmm -50.84 -42.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.086 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -56.24 -45.4 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.25 -40.9 12.22 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.494 -0.776 . . . . 1.0 109.889 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.88 -55.01 22.68 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.83 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.02 -31.47 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.629 -1.168 . . . . 1.0 110.413 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -77.25 -39.23 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.631 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -71.45 -35.93 71.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.934 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.18 -47.84 17.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.476 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.8 t -55.13 -63.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.65 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -166.07 -172.2 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.478 0.547 . . . . 1.0 112.478 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.17 54.43 1.85 Allowed Glycine 0 CA--C 1.469 -2.833 0 CA-C-N 115.767 -0.651 . . . . 1.0 113.128 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 63.6 m -108.54 96.08 6.1 Favored 'General case' 0 N--CA 1.41 -2.434 0 CA-C-O 124.129 1.919 . . . . 1.0 109.409 174.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.4 27.41 Favored 'General case' 0 C--N 1.259 -3.36 0 CA-C-N 109.901 -3.318 . . . . 1.0 111.998 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.54 160.61 40.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.716 0.77 . . . . 1.0 112.271 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . -169.74 -156.1 10.64 Favored Glycine 0 N--CA 1.425 -2.1 0 CA-C-N 114.61 -1.177 . . . . 1.0 113.02 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -160.97 145.49 13.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.024 -0.588 . . . . 1.0 111.774 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.85 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.4 t -108.21 153.51 23.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.749 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -136.15 171.74 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 CA-C-O 122.364 1.078 . . . . 1.0 110.196 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -9.77 -66.29 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.926 -2.397 . . . . 1.0 112.181 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -138.62 11.4 2.71 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 108.987 -3.606 . . . . 1.0 109.011 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 14.1 tttm -104.7 170.31 7.95 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-O 122.855 1.312 . . . . 1.0 111.751 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 38.2 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 112.1 -2.318 . . . . 1.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.17 144.18 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.086 0.469 . . . . 1.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 44.8 m -66.16 171.35 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CG ' ' O ' ' A' ' 30' ' ' CYS . 3.7 m-85 . . . . . 0 N--CA 1.415 -2.222 0 CA-C-O 120.711 0.291 . . . . 1.0 111.102 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.079 0.466 . . . . 1.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 46.11 81.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -76.91 -49.98 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.34 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -42.36 -63.02 0.82 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.209 0.528 . . . . 1.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -40.02 63.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.269 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -43.77 77.67 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.814 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -47.72 -41.5 23.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.836 178.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -53.19 32.4 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.898 -1.046 . . . . 1.0 110.001 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -46.97 -36.16 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.475 -1.239 . . . . 1.0 110.406 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -44.0 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.462 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 12.7 ttm180 -60.49 -48.57 81.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.838 -1.074 . . . . 1.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -71.58 -54.71 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.0 t -53.59 -50.29 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.366 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -139.08 -79.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.333 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 13' ' ' ARG . . . 146.89 -9.88 1.36 Allowed Glycine 0 CA--C 1.477 -2.296 0 C-N-CA 120.677 -0.773 . . . . 1.0 113.617 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.7 m -80.49 97.12 6.99 Favored 'General case' 0 N--CA 1.421 -1.909 0 C-N-CA 116.254 -2.179 . . . . 1.0 109.782 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -50.57 86.8 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.704 0 CA-C-N 110.86 -2.882 . . . . 1.0 111.407 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 21' ' ' GLY . 5.8 tp -178.6 133.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.574 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 171.2 -155.32 24.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.072 -0.585 . . . . 1.0 113.144 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -169.1 147.33 3.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -0.647 . . . . 1.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.1 t -102.58 153.48 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -137.45 170.04 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-O 122.299 1.047 . . . . 1.0 110.109 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.578 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.83 -65.85 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.944 0 CA-C-N 112.064 -2.334 . . . . 1.0 112.552 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.8 m-20 -137.05 10.66 3.06 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 109.009 -3.595 . . . . 1.0 108.982 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.9 ttpp -102.42 170.01 8.32 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 122.898 1.332 . . . . 1.0 111.777 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 48.8 t -176.77 125.48 0.16 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 112.035 -2.348 . . . . 1.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 149.04 1.08 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.306 0.574 . . . . 1.0 111.567 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.548 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.2 m -58.06 166.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.184 -0.917 . . . . 1.0 110.192 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.415 -2.18 0 CA-C-O 121.183 0.516 . . . . 1.0 111.18 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.932 0.396 . . . . 1.0 110.822 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 54.12 81.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.46 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.8 tm? -74.62 -67.01 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.285 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.96 -60.2 1.48 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.025 0.44 . . . . 1.0 110.597 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpp -52.34 -43.14 64.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -56.88 -42.38 79.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -48.09 -41.41 26.16 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.456 0.646 . . . . 1.0 109.628 178.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -50.61 -53.29 31.86 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.876 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -47.43 -34.31 7.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.424 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -72.68 -46.05 55.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -57.53 -46.8 83.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.118 -0.947 . . . . 1.0 110.49 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.91 -54.26 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.534 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' HD22 ' A' ' 16' ' ' LEU . 32.5 t -57.8 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.7 mm? -122.74 -82.75 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.188 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 145.7 -2.47 1.06 Allowed Glycine 0 CA--C 1.476 -2.397 0 CA-C-O 119.024 -0.875 . . . . 1.0 114.114 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 20' ' ' LEU . 6.6 m -88.49 97.96 11.37 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 116.248 -2.181 . . . . 1.0 109.837 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.38 83.01 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 110.595 -3.002 . . . . 1.0 111.973 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 173.8 149.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.795 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 167.98 -154.78 25.06 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.942 -0.647 . . . . 1.0 113.003 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.49 144.59 22.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.956 -0.622 . . . . 1.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 8.2 t -106.01 153.29 22.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.788 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.75 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.99 169.38 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 122.236 1.017 . . . . 1.0 109.865 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.564 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.25 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.878 0 CA-C-N 112.144 -2.298 . . . . 1.0 112.492 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' ILE . 23.5 t0 -138.92 11.65 2.65 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 108.88 -3.66 . . . . 1.0 108.907 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.75 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.1 ttmt -105.86 170.43 7.91 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 122.797 1.284 . . . . 1.0 111.532 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -173.71 134.95 0.5 Allowed 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 112.238 -2.256 . . . . 1.0 110.938 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -168.18 146.2 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 1.0 111.222 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 29.4 m -58.95 167.46 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.421 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.88 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.424 -1.74 0 CA-C-O 121.025 0.441 . . . . 1.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 1.0 110.966 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.56 80.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -80.87 -52.53 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.42 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -43.05 -62.5 1.02 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.096 0.474 . . . . 1.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 8' ' ' CYS . 8.8 ptp -55.97 -37.14 68.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.309 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.24 -41.74 80.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.662 -0.496 . . . . 1.0 109.662 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -46.89 -41.5 15.96 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.742 -0.663 . . . . 1.0 109.85 178.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -51.48 -54.0 31.51 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.949 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -47.96 -34.5 9.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.589 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -75.04 -43.48 53.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.38 0.61 . . . . 1.0 109.53 179.038 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -61.89 -46.11 90.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.066 -0.97 . . . . 1.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HD2' HD12 ' A' ' 10' ' ' LEU . 13.8 mttt -72.38 -53.59 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.585 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -55.15 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.4 mt -139.38 -77.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.352 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 140.21 7.01 0.98 Allowed Glycine 0 CA--C 1.478 -2.235 0 C-N-CA 120.676 -0.773 . . . . 1.0 114.041 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 20' ' ' LEU . 39.4 m -86.69 97.3 10.5 Favored 'General case' 0 N--CA 1.421 -1.895 0 C-N-CA 116.625 -2.03 . . . . 1.0 109.714 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -51.32 76.69 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.703 0 CA-C-N 110.482 -3.054 . . . . 1.0 111.794 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 9.6 tp 179.4 140.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.22 -154.82 24.59 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 121.056 -0.593 . . . . 1.0 112.952 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -157.15 141.96 16.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.974 -0.613 . . . . 1.0 111.208 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 52.4 t -103.78 153.79 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.795 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -136.62 169.92 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-O 122.256 1.027 . . . . 1.0 110.057 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.72 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.919 0 CA-C-N 112.105 -2.316 . . . . 1.0 112.576 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.9 m-20 -137.62 10.97 2.94 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 108.903 -3.648 . . . . 1.0 108.993 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -104.54 170.02 8.13 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.769 1.271 . . . . 1.0 111.521 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -177.64 132.87 0.16 Allowed 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 112.227 -2.26 . . . . 1.0 110.755 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -169.1 144.14 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.05 0.452 . . . . 1.0 111.634 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.9 m -70.58 174.27 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 1.9 m-85 . . . . . 0 N--CA 1.422 -1.83 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.998 0.428 . . . . 1.0 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 52.72 82.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -72.26 -60.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.96 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.28 -60.89 1.32 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.979 0.418 . . . . 1.0 110.487 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 tpp -50.42 -43.69 54.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.013 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -45.71 75.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.612 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.3 -41.56 19.32 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.907 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.67 -53.61 29.72 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.872 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -46.98 -34.07 5.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.483 -1.235 . . . . 1.0 110.368 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -73.13 -46.52 50.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.39 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 2.2 tpt180 -57.03 -45.58 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.087 -0.961 . . . . 1.0 110.49 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -54.74 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' HD22 ' A' ' 16' ' ' LEU . 44.1 t -58.62 -64.7 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.223 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 15' ' ' SER . 4.4 mm? -119.18 -84.24 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.285 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 147.5 -6.09 1.04 Allowed Glycine 0 CA--C 1.474 -2.486 0 CA-C-O 119.042 -0.866 . . . . 1.0 114.064 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 20' ' ' LEU . 7.5 m -86.65 98.06 10.91 Favored 'General case' 0 N--CA 1.42 -1.941 0 C-N-CA 116.153 -2.219 . . . . 1.0 109.77 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.63 83.69 0.0 OUTLIER 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 110.657 -2.974 . . . . 1.0 112.154 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 174.71 145.76 0.06 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.818 179.664 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.16 -154.89 25.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.913 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 143.96 16.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.958 -0.621 . . . . 1.0 111.292 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -105.64 153.54 21.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.675 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -135.52 172.26 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.25 0 CA-C-O 122.403 1.097 . . . . 1.0 110.234 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.65 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.39 -66.24 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.837 0 CA-C-N 111.832 -2.44 . . . . 1.0 112.174 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ILE . 12.9 t70 -138.29 11.2 2.79 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.974 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.4 ttmm -103.92 170.06 8.14 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.856 1.312 . . . . 1.0 111.631 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 44.7 t -172.92 133.08 0.54 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 112.139 -2.301 . . . . 1.0 110.692 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -169.89 146.42 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 1.0 111.325 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 36.6 m -59.46 168.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.47 -0.787 . . . . 1.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.924 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.5 m-85 . . . . . 0 N--CA 1.423 -1.798 0 CA-C-O 121.09 0.471 . . . . 1.0 110.607 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.11 0.481 . . . . 1.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 37.27 76.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.253 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -81.75 -42.98 19.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.283 -0.871 . . . . 1.0 111.201 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.4 tmm_? -41.75 -59.87 1.53 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.41 -45.02 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.822 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -44.54 84.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.65 -40.46 13.16 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.341 -0.845 . . . . 1.0 109.762 178.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -55.07 22.82 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.784 -1.098 . . . . 1.0 109.905 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -50.4 -34.98 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.356 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.97 -40.99 60.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.417 178.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.2 -58.02 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.81 -1.087 . . . . 1.0 110.586 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -58.42 -50.84 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.697 ' O ' HD23 ' A' ' 16' ' ' LEU . 45.1 t -56.19 -62.55 1.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 15' ' ' SER . 27.3 mt -144.54 -163.12 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 1.0 111.391 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.57 44.3 1.52 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.968 -0.634 . . . . 1.0 112.009 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 20' ' ' LEU . 40.9 t -126.41 27.78 6.11 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 125.488 2.565 . . . . 1.0 110.662 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -14.91 -43.59 0.0 OUTLIER 'General case' 1 C--N 1.225 -4.842 1 CA-C-N 106.416 -4.902 . . . . 1.0 113.976 -179.869 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.4 mm? -43.09 156.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.105 0.479 . . . . 1.0 111.604 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 170.42 -155.62 25.35 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.991 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -176.02 145.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.028 -0.586 . . . . 1.0 111.662 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.851 ' O ' HD13 ' A' ' 24' ' ' ILE . 49.7 t -104.3 153.65 20.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.73 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.01 172.17 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.244 0 CA-C-O 122.34 1.067 . . . . 1.0 110.208 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.28 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.859 0 CA-C-N 111.924 -2.398 . . . . 1.0 112.138 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.7 t0 -138.87 11.48 2.66 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 109.051 -3.574 . . . . 1.0 108.904 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.623 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 3.4 ttpt -104.88 170.3 7.95 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-O 122.83 1.3 . . . . 1.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.28 132.86 0.81 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 112.183 -2.281 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.17 144.85 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 76.3 m -63.69 -177.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.511 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.426 -1.641 0 CA-C-O 121.078 0.466 . . . . 1.0 109.945 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 121.024 0.44 . . . . 1.0 111.78 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 41.82 80.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.7 -57.5 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.152 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.9 tmm_? -42.04 -61.37 1.16 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.112 0.482 . . . . 1.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.38 -43.52 54.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.0 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.62 -45.84 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.4 mt-30 -46.57 -41.28 14.19 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.496 -0.774 . . . . 1.0 109.845 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -54.59 26.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.921 -1.036 . . . . 1.0 109.853 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 41.0 t -47.08 -34.1 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.532 -1.213 . . . . 1.0 110.342 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.54 -44.23 29.31 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 178.331 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -55.09 -42.73 73.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.062 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -80.14 -55.32 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.416 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' SER . 27.3 t -61.21 -66.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.486 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.31 -86.56 0.64 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.545 -179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 154.27 6.95 0.09 OUTLIER Glycine 0 CA--C 1.481 -2.058 0 C-N-CA 120.306 -0.949 . . . . 1.0 114.667 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -89.31 96.9 10.91 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 116.559 -2.057 . . . . 1.0 109.94 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.34 -28.09 1.23 Allowed 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 110.618 -2.992 . . . . 1.0 112.053 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -87.83 156.57 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 1.0 111.107 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.92 -155.31 25.07 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.548 -0.751 . . . . 1.0 113.035 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -151.73 142.81 23.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.944 -0.628 . . . . 1.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' C ' HD12 ' A' ' 24' ' ' ILE . 17.7 t -110.1 152.8 25.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.4 mp -135.97 169.6 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 CA-C-O 122.069 0.937 . . . . 1.0 109.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.15 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.055 0 CA-C-N 112.349 -2.205 . . . . 1.0 112.314 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.6 m-20 -140.81 11.79 2.25 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 108.656 -3.772 . . . . 1.0 109.25 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.803 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.82 170.59 7.81 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.862 1.315 . . . . 1.0 111.74 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.46 134.68 4.02 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 112.038 -2.346 . . . . 1.0 110.648 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 130.18 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 1.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -70.72 168.47 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.632 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.7 m-85 . . . . . 0 N--CA 1.422 -1.861 0 CA-C-O 120.921 0.391 . . . . 1.0 111.014 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 121.174 0.512 . . . . 1.0 110.83 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 42.25 78.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 1.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -78.73 -67.18 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.137 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.78 -58.63 1.93 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.899 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -50.07 -46.05 53.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -44.55 80.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.38 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.97 -40.86 23.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.808 178.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.18 -53.46 34.66 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 114.824 -1.08 . . . . 1.0 110.039 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 20.8 p -47.87 -36.64 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.603 -1.181 . . . . 1.0 110.484 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.31 -40.75 43.21 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.72 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.322 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -73.17 -55.71 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.527 ' C ' HD12 ' A' ' 16' ' ' LEU . 31.2 t -55.94 -46.05 78.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.24 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 15' ' ' SER . 4.8 mp -147.15 -88.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.458 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 159.19 44.68 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.559 0 C-N-CA 120.636 -0.792 . . . . 1.0 113.597 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.93 95.76 5.74 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-O 124.28 1.99 . . . . 1.0 110.236 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.0 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.267 -3.011 0 CA-C-N 109.655 -3.43 . . . . 1.0 112.287 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -58.25 157.35 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 1.0 111.438 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.719 ' H ' HD13 ' A' ' 20' ' ' LEU . . . 173.83 -155.69 22.38 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 115.445 -0.798 . . . . 1.0 113.26 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -151.73 141.04 21.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.887 -0.656 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.798 ' O ' HD13 ' A' ' 24' ' ' ILE . 44.1 t -107.69 154.35 21.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.046 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -133.5 172.1 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.322 0 CA-C-O 122.293 1.044 . . . . 1.0 109.99 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.07 -66.42 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.866 0 CA-C-N 112.015 -2.357 . . . . 1.0 111.91 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 p30 -140.4 12.24 2.35 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 109.001 -3.6 . . . . 1.0 108.939 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 32.4 tttt -105.65 170.45 7.88 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 122.911 1.339 . . . . 1.0 111.88 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.78 133.06 9.84 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.075 -2.33 . . . . 1.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 129.88 14.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.981 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 8.9 m -79.84 168.46 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.469 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 N--CA 1.415 -2.189 0 CA-C-O 120.907 0.384 . . . . 1.0 111.867 -178.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.101 0.477 . . . . 1.0 110.931 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 41.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -78.45 -60.37 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.062 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 37.1 mtm180 -42.18 -61.13 1.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.45 . . . . 1.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.35 -44.31 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.84 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -54.87 -47.52 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.43 178.602 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.1 mt-30 -46.12 -41.18 12.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.113 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.99 -54.54 28.59 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.93 -1.032 . . . . 1.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.1 p -48.98 -36.04 16.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.59 -1.186 . . . . 1.0 110.625 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -78.31 -39.12 40.66 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.51 0.672 . . . . 1.0 109.196 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.85 -47.79 84.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.905 -1.043 . . . . 1.0 110.086 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -73.39 -55.08 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.133 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.793 ' C ' HD22 ' A' ' 16' ' ' LEU . 33.2 t -56.13 -58.85 6.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.142 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 15' ' ' SER . 3.7 mm? -133.65 -89.24 0.39 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.563 -0.289 . . . . 1.0 111.431 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 163.07 38.26 0.02 OUTLIER Glycine 0 CA--C 1.475 -2.414 0 C-N-CA 120.679 -0.772 . . . . 1.0 113.824 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.4 m -105.79 95.91 6.12 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 124.255 1.979 . . . . 1.0 110.049 174.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.36 -46.53 76.44 Favored 'General case' 0 C--N 1.266 -3.023 0 CA-C-N 109.664 -3.426 . . . . 1.0 112.332 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -86.3 154.33 21.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.128 0.49 . . . . 1.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 176.35 -155.27 18.61 Favored Glycine 0 N--CA 1.434 -1.468 0 CA-C-N 115.745 -0.662 . . . . 1.0 113.403 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -147.97 142.01 25.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.845 -0.678 . . . . 1.0 111.161 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -113.53 152.73 29.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.771 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.3 mt -137.06 172.08 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.212 0 CA-C-O 122.359 1.076 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.05 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.925 0 CA-C-N 111.857 -2.428 . . . . 1.0 112.211 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.5 p30 -138.23 11.11 2.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 109.039 -3.58 . . . . 1.0 109.009 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.3 ttmt -102.32 169.93 8.39 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 122.906 1.336 . . . . 1.0 111.836 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -169.25 132.12 1.26 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 112.081 -2.327 . . . . 1.0 110.555 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -160.31 130.55 5.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.914 0.388 . . . . 1.0 111.28 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.7 m -77.66 161.57 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.157 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.549 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.6 m-85 . . . . . 0 N--CA 1.415 -2.224 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.271 0 CA-C-O 120.884 0.373 . . . . 1.0 111.069 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.33 82.43 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -73.46 -63.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.243 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 24.8 ttt180 -42.81 -62.95 0.87 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.146 0.498 . . . . 1.0 110.095 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.6 tpp -52.07 -40.25 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.316 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -45.22 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -45.7 -41.4 10.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.857 178.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.49 -55.01 24.92 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.895 -1.048 . . . . 1.0 109.963 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 38.4 m -50.18 -29.3 9.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.581 -1.191 . . . . 1.0 110.535 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -79.16 -43.47 23.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 178.683 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.41 -38.52 71.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.114 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -55.32 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.806 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.3 t -62.68 -68.09 0.36 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.575 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.6 mt -153.3 134.29 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.264 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.27 51.22 2.48 Favored Glycine 0 CA--C 1.479 -2.194 0 N-CA-C 114.724 0.649 . . . . 1.0 114.724 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -117.64 95.48 4.96 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 123.938 1.828 . . . . 1.0 109.725 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.85 -33.46 0.08 Allowed 'General case' 0 C--N 1.269 -2.912 0 CA-C-N 109.977 -3.283 . . . . 1.0 112.191 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.974 HD12 ' HB3' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -76.69 156.36 32.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.169 0.509 . . . . 1.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 165.27 -154.51 25.3 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.535 -0.757 . . . . 1.0 112.638 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -158.52 142.42 15.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.081 -0.559 . . . . 1.0 111.67 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 18.0 t -117.62 146.43 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.701 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -138.56 171.21 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.974 0 CA-C-O 122.621 1.201 . . . . 1.0 110.441 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.61 -65.1 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.81 0 CA-C-N 111.745 -2.479 . . . . 1.0 113.261 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -130.69 7.63 4.83 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-N 109.513 -3.343 . . . . 1.0 108.882 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.765 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -94.41 169.84 9.92 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.84 1.305 . . . . 1.0 111.717 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.9 t 176.74 121.27 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.062 -2.335 . . . . 1.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 142.53 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.495 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 5.5 m -63.46 -163.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.944 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.974 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.414 -2.232 0 CA-C-O 120.846 0.355 . . . . 1.0 111.73 179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 121.025 0.44 . . . . 1.0 110.882 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 45.63 80.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tt -75.59 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -41.64 -60.43 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.087 0.47 . . . . 1.0 110.585 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 ttt -50.57 -44.67 56.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.965 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.37 -44.89 76.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.53 178.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -47.5 -41.92 21.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.882 178.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.76 -53.2 33.69 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.935 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.0 t -49.9 -28.3 6.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.817 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -46.82 57.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.239 0.542 . . . . 1.0 110.064 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -44.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -53.29 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t -58.09 -64.47 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -119.52 -83.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.17 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.32 -20.16 0.83 Allowed Glycine 0 CA--C 1.478 -2.261 0 CA-C-O 119.021 -0.877 . . . . 1.0 113.64 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 m -76.77 97.46 4.51 Favored 'General case' 0 N--CA 1.423 -1.815 0 C-N-CA 115.9 -2.32 . . . . 1.0 109.767 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -49.99 87.38 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 110.733 -2.94 . . . . 1.0 111.422 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.37 150.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 164.24 -154.87 25.96 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.802 -0.714 . . . . 1.0 113.058 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -167.53 142.93 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.812 -0.694 . . . . 1.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -100.89 154.52 18.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.754 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -135.52 169.49 20.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 CA-C-O 122.151 0.977 . . . . 1.0 109.878 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.12 -66.02 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 112.197 -2.274 . . . . 1.0 112.419 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 7.2 t70 -138.9 11.55 2.65 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 108.837 -3.681 . . . . 1.0 108.975 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.1 ttmt -104.69 170.31 7.95 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 122.865 1.317 . . . . 1.0 111.778 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -171.48 128.97 0.68 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 112.103 -2.317 . . . . 1.0 110.57 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -163.16 143.72 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 1.0 111.279 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.512 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 65.8 m -68.49 171.15 7.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 9.3 m-85 . . . . . 0 N--CA 1.42 -1.951 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.032 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.307 0 CA-C-O 120.932 0.396 . . . . 1.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 48.74 82.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tm? -73.4 -66.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.64 -61.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.086 0.47 . . . . 1.0 110.418 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttm -51.45 -41.6 60.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.321 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -56.09 -45.25 79.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 178.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -45.63 -41.32 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.813 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -55.11 25.03 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.995 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.478 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -79.22 -42.52 25.79 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -56.55 -40.75 75.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -82.29 -54.84 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.446 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 16' ' ' LEU . 23.8 t -61.59 -67.1 0.44 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.4 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -159.47 137.07 9.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.834 0.349 . . . . 1.0 111.3 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 53.15 1.75 Allowed Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 114.664 0.626 . . . . 1.0 114.664 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 56.6 m -117.05 95.42 4.99 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 123.825 1.774 . . . . 1.0 109.409 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.88 -27.8 0.57 Allowed 'General case' 0 C--N 1.26 -3.313 0 CA-C-N 110.362 -3.108 . . . . 1.0 111.615 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 35.8 tp -76.84 153.69 34.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.446 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 160.39 -154.23 25.23 Favored Glycine 0 CA--C 1.503 -0.662 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.434 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -161.18 145.52 13.45 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.212 0.53 . . . . 1.0 111.879 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 16.0 t -117.61 145.79 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.591 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.794 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.09 171.3 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 CA-C-O 122.56 1.172 . . . . 1.0 110.403 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.5 -65.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 111.698 -2.501 . . . . 1.0 113.225 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.06 7.77 4.69 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 109.466 -3.367 . . . . 1.0 108.876 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.0 tttp -95.55 169.68 9.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 122.825 1.298 . . . . 1.0 111.609 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 43.9 t 174.31 124.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 112.041 -2.345 . . . . 1.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.92 142.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 1.0 111.454 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.0 m -67.54 -173.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.42 -1.955 0 N-CA-C 112.556 0.576 . . . . 1.0 112.556 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 121.028 0.442 . . . . 1.0 110.7 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 44.73 79.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.729 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.14 -50.45 16.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.644 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.6 ttp85 -43.78 -64.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.1 0.476 . . . . 1.0 110.276 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.9 ptm -53.21 -37.1 61.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.291 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -56.45 -45.92 80.57 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -43.99 -41.52 5.43 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.46 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -53.86 -57.17 11.9 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 114.737 -1.12 . . . . 1.0 109.697 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -26.44 60.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.588 -1.187 . . . . 1.0 110.371 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -76.19 -39.74 54.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -65.68 -51.85 56.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.957 -1.019 . . . . 1.0 110.164 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.19 -50.3 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.954 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -55.24 -60.48 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.543 . . . . 1.0 111.125 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mt -153.47 131.76 11.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 1.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.25 -25.48 0.15 Allowed Glycine 0 CA--C 1.479 -2.194 0 CA-C-O 118.877 -0.957 . . . . 1.0 114.435 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -74.01 97.79 2.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.639 -2.424 . . . . 1.0 109.833 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.16 -29.26 30.43 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-N 110.579 -3.009 . . . . 1.0 111.933 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 150.51 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.31 -155.22 25.73 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.873 -0.679 . . . . 1.0 113.241 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.27 145.86 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.852 -0.674 . . . . 1.0 111.221 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.3 t -101.92 153.55 19.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.746 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -136.8 169.93 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 122.261 1.029 . . . . 1.0 110.102 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.65 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.938 0 CA-C-N 112.038 -2.346 . . . . 1.0 112.57 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.4 p30 -137.49 10.9 2.96 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 108.977 -3.611 . . . . 1.0 108.97 178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.3 tttt -103.2 170.11 8.15 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 122.853 1.311 . . . . 1.0 111.779 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 46.1 t -176.33 125.76 0.19 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 112.131 -2.304 . . . . 1.0 110.641 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -172.17 147.53 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.187 0.518 . . . . 1.0 111.468 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 79.1 m -60.31 173.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.542 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.42 -1.969 0 CA-C-O 120.796 0.332 . . . . 1.0 111.339 -179.159 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.884 0.374 . . . . 1.0 111.39 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m120 47.59 81.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -75.39 -67.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.23 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -41.98 -60.97 1.24 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.139 0.495 . . . . 1.0 110.602 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.9 ttm -51.99 -42.69 63.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.296 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -56.91 -43.36 81.3 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.585 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -46.19 -41.7 13.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.687 178.528 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.79 -55.08 21.96 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.708 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -53.56 -27.25 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.505 -1.225 . . . . 1.0 110.375 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -77.49 -42.6 35.16 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.959 -0.756 . . . . 1.0 108.959 178.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -42.49 88.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.21 -0.905 . . . . 1.0 110.034 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -78.34 -53.29 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -60.23 -66.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.211 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -161.96 135.84 6.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.984 0.421 . . . . 1.0 111.258 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.37 55.35 0.64 Allowed Glycine 0 CA--C 1.481 -2.06 0 N-CA-C 115.103 0.801 . . . . 1.0 115.103 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.8 m -114.61 95.39 5.22 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-O 123.878 1.799 . . . . 1.0 109.528 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.42 -30.57 0.34 Allowed 'General case' 0 C--N 1.269 -2.913 0 CA-C-N 110.108 -3.224 . . . . 1.0 111.629 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 31' ' ' TYR . 3.2 mm? -75.14 158.31 33.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 1.0 111.224 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.55 -155.61 25.86 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.284 -0.871 . . . . 1.0 112.577 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -176.22 145.6 0.62 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.128 -0.536 . . . . 1.0 111.755 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.59 151.71 24.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.267 179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mp -135.91 169.63 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 CA-C-O 122.125 0.964 . . . . 1.0 110.194 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.28 -66.15 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.087 0 CA-C-N 112.249 -2.25 . . . . 1.0 112.503 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.6 t0 -139.72 11.41 2.47 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 108.716 -3.742 . . . . 1.0 109.184 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.3 ttmt -105.98 170.61 7.8 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 122.872 1.32 . . . . 1.0 111.404 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -170.86 135.2 1.05 Allowed 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 112.095 -2.321 . . . . 1.0 110.71 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.99 144.97 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.073 0.463 . . . . 1.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 10.8 m -62.85 -173.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.422 -1.831 0 CA-C-O 121.117 0.484 . . . . 1.0 110.668 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.936 0.398 . . . . 1.0 110.851 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 53.25 82.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -71.42 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.031 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 1.2 mpt_? -42.14 -61.94 1.05 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.143 0.497 . . . . 1.0 110.385 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.66 -42.8 57.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.137 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.11 -45.9 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 178.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.911 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -46.66 -41.7 15.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.93 178.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -53.84 32.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.912 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -34.83 8.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.514 -1.221 . . . . 1.0 110.518 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -44.3 56.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.791 -0.641 . . . . 1.0 109.543 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -60.59 -45.35 94.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.41 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -73.21 -54.02 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 16' ' ' LEU . 46.3 t -57.07 -63.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 15' ' ' SER . 4.3 mm? -122.35 -84.65 0.66 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.11 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.81 -31.75 0.51 Allowed Glycine 0 CA--C 1.476 -2.36 0 CA-C-O 118.885 -0.953 . . . . 1.0 113.606 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -74.07 97.51 2.9 Favored 'General case' 0 N--CA 1.422 -1.83 0 C-N-CA 115.654 -2.418 . . . . 1.0 109.946 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.911 HD13 ' HG2' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -54.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.116 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.541 HD11 ' HD2' ' A' ' 31' ' ' TYR . 8.6 tp 177.65 133.11 0.07 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.211 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 172.19 -154.8 22.29 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.134 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -150.31 143.33 24.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.928 -0.636 . . . . 1.0 111.2 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.9 t -105.21 153.75 21.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.833 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -136.08 172.3 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.242 0 CA-C-O 122.451 1.119 . . . . 1.0 110.223 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.643 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.61 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.905 0 CA-C-N 111.798 -2.456 . . . . 1.0 112.286 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.1 t70 -137.67 10.87 2.92 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 109.119 -3.541 . . . . 1.0 108.94 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.833 ' HD2' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -104.44 170.11 8.09 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.84 1.305 . . . . 1.0 111.54 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.2 t -176.06 131.76 0.24 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 112.225 -2.262 . . . . 1.0 110.68 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.46 144.8 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.139 0.495 . . . . 1.0 111.634 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 11.3 m -67.48 172.81 4.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.258 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.42 -1.969 0 CA-C-O 121.235 0.541 . . . . 1.0 110.769 -179.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.105 0.479 . . . . 1.0 110.788 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 43.76 78.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -82.28 -49.72 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.517 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.42 -62.21 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.203 0.525 . . . . 1.0 110.577 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 ptm -54.26 -39.52 66.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.396 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.61 -42.21 82.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.3 -41.45 13.22 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.662 178.613 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.01 -54.96 23.66 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.817 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -48.49 -31.15 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.537 -1.21 . . . . 1.0 110.492 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.46 -45.59 30.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.02 -42.87 73.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.286 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -54.71 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.588 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 32.7 t -60.88 -66.16 0.58 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.461 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 mt -135.09 110.24 8.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 1.0 111.412 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.32 -22.43 0.21 Allowed Glycine 0 CA--C 1.48 -2.145 0 CA-C-O 118.862 -0.966 . . . . 1.0 114.568 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 20' ' ' LEU . 58.2 m -73.55 97.37 2.59 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.817 -2.353 . . . . 1.0 110.133 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -61.44 105.62 0.54 Allowed 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.313 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER 168.94 151.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 162.42 -154.83 25.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.664 -0.779 . . . . 1.0 113.249 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -163.34 143.64 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.852 -0.674 . . . . 1.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 51.0 t -102.17 154.74 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.74 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.15 169.46 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 122.195 0.997 . . . . 1.0 109.831 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.22 -65.99 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.891 0 CA-C-N 112.2 -2.273 . . . . 1.0 112.502 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.8 p30 -138.94 11.57 2.64 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 108.816 -3.692 . . . . 1.0 108.968 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.74 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.9 tttm -105.91 170.51 7.86 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 122.829 1.299 . . . . 1.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -173.88 133.37 0.44 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 112.192 -2.276 . . . . 1.0 110.824 179.728 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 144.02 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.249 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 62.2 m -65.22 172.99 2.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.799 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.416 -2.158 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.36 -179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.962 0.41 . . . . 1.0 110.914 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.86 80.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 HD22 ' OE1' ' A' ' 9' ' ' GLN . 1.2 tt -77.59 -66.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 2.5 ttm180 -41.89 -60.7 1.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.178 0.514 . . . . 1.0 110.669 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpp -51.29 -43.53 61.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.114 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.39 -44.31 80.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.5 -41.55 14.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.904 178.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.23 -54.62 24.01 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.805 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -51.46 -36.47 44.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.52 -1.218 . . . . 1.0 110.402 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -68.14 -42.72 79.73 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -70.07 -29.42 66.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.012 -0.995 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -77.34 -66.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.744 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -63.56 1.19 Allowed 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.962 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.5 mm? -120.09 -93.5 0.52 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.725 -0.216 . . . . 1.0 111.552 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 156.29 -10.48 0.31 Allowed Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 120.296 -0.954 . . . . 1.0 114.357 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.4 m -78.02 97.38 5.36 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 115.858 -2.337 . . . . 1.0 109.997 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD21 ' HG2' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -33.37 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 110.436 -3.075 . . . . 1.0 112.22 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -56.36 152.61 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 1.0 111.056 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.14 -155.21 26.3 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.194 -0.526 . . . . 1.0 112.849 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -171.57 148.39 2.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.947 -0.626 . . . . 1.0 111.496 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 7.3 t -112.01 152.21 28.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.627 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' HD3' ' A' ' 27' ' ' LYS . 1.2 mt -136.06 172.01 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 CA-C-O 122.405 1.098 . . . . 1.0 110.318 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.13 -66.19 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.928 0 CA-C-N 111.822 -2.444 . . . . 1.0 112.319 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' ILE . 32.4 p30 -138.13 11.14 2.82 Favored 'General case' 0 C--N 1.281 -2.399 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.971 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HD3' HD12 ' A' ' 24' ' ' ILE . 19.4 tttm -103.95 169.97 8.19 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.798 1.285 . . . . 1.0 111.582 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.8 t -173.72 133.35 0.46 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.165 -2.289 . . . . 1.0 110.626 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.14 143.43 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.055 0.455 . . . . 1.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.3 m -66.32 173.08 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.505 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.423 -1.783 0 CA-C-O 121.14 0.495 . . . . 1.0 110.408 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.835 0.35 . . . . 1.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER 62.42 149.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.85 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.22 91.41 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.25 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 48.98 82.63 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -67.1 -62.66 1.32 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 29.1 ttt180 -43.15 -64.02 0.71 Allowed 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.072 0.463 . . . . 1.0 110.018 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.56 43.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.252 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -54.69 -48.55 72.28 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 178.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -44.7 -41.28 6.64 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.254 -0.884 . . . . 1.0 109.723 178.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tp -53.23 -56.07 19.36 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.758 -1.11 . . . . 1.0 109.948 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.5 m -50.47 -32.34 17.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.657 -1.156 . . . . 1.0 110.366 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -78.7 -40.99 32.21 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.928 -0.767 . . . . 1.0 108.928 178.604 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -58.78 -41.17 86.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.134 -0.939 . . . . 1.0 109.921 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.17 -54.97 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.458 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.4 t -62.03 -68.04 0.36 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.215 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.51 137.5 5.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.273 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.36 60.7 0.84 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 114.272 0.469 . . . . 1.0 114.272 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.576 ' HB2' ' HB3' ' A' ' 30' ' ' CYS . 58.8 m -114.24 93.67 4.46 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-O 124.375 2.036 . . . . 1.0 110.471 174.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -38.97 -32.57 0.09 Allowed 'General case' 0 C--N 1.264 -3.13 0 CA-C-N 109.518 -3.492 . . . . 1.0 112.351 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD12 ' HD2' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -100.19 154.88 18.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.001 0.429 . . . . 1.0 111.201 -179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.545 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.99 -155.03 25.87 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.94 -0.648 . . . . 1.0 113.399 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' CG ' ' OH ' ' A' ' 31' ' ' TYR . 2.4 mttp -131.74 145.7 51.76 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.823 -0.689 . . . . 1.0 111.516 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 44.3 t -112.5 151.12 30.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.772 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -136.4 167.82 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.002 0 CA-C-O 121.934 0.873 . . . . 1.0 109.606 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.541 ' N ' ' CG2' ' A' ' 24' ' ' ILE . . . -7.27 -65.9 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.872 0 CA-C-O 124.488 2.16 . . . . 1.0 112.199 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 m-20 -141.77 13.15 2.09 Favored 'General case' 0 C--N 1.279 -2.472 0 CA-C-N 108.626 -3.787 . . . . 1.0 108.791 178.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.792 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.9 ttmt -107.99 170.86 7.74 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.915 1.34 . . . . 1.0 111.613 -179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.83 148.6 24.11 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 112.103 -2.317 . . . . 1.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.06 113.28 3.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.951 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.576 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m -72.68 177.53 4.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.949 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.625 ' HD2' HD12 ' A' ' 20' ' ' LEU . 23.3 m-85 -110.55 -152.95 0.51 Allowed 'General case' 0 N--CA 1.407 -2.619 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 33' ' ' CYS . . . -85.88 27.15 5.55 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.097 -1.049 . . . . 1.0 110.678 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 32' ' ' GLY . 52.4 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.205 -0.903 . . . . 1.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.825 0.345 . . . . 1.0 111.053 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -60.37 153.56 22.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.851 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.35 78.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.897 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 37.33 77.77 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.262 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.951 HD23 ' N ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -84.94 -36.17 21.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.492 -0.776 . . . . 1.0 111.092 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.951 ' N ' HD23 ' A' ' 5' ' ' LEU . 13.9 ttt85 -42.76 -63.05 0.85 Allowed 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 121.153 0.501 . . . . 1.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -55.65 -37.53 68.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.398 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -58.22 -41.25 83.66 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.59 -0.522 . . . . 1.0 109.59 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.607 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.41 -41.36 13.57 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.485 0.66 . . . . 1.0 109.6 178.519 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.11 -54.92 24.61 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 114.893 -1.049 . . . . 1.0 109.839 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 17.5 p -48.55 -30.07 4.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.543 -1.208 . . . . 1.0 110.553 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.12 -46.56 28.22 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 109.051 -0.722 . . . . 1.0 109.051 178.587 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -53.96 -42.94 69.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.399 -0.818 . . . . 1.0 110.363 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -79.75 -54.82 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.676 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.761 ' C ' HD22 ' A' ' 16' ' ' LEU . 23.1 t -61.37 -66.3 0.56 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.552 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.761 HD22 ' C ' ' A' ' 15' ' ' SER . 3.9 mm? -132.78 110.86 10.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.954 0.407 . . . . 1.0 111.474 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.66 -22.24 0.24 Allowed Glycine 0 CA--C 1.481 -2.058 0 CA-C-O 118.865 -0.964 . . . . 1.0 114.544 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.697 ' O ' HD23 ' A' ' 20' ' ' LEU . 43.5 m -73.25 97.35 2.43 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 115.786 -2.366 . . . . 1.0 110.081 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.35 93.96 0.05 Allowed 'General case' 0 C--N 1.276 -2.591 0 CA-C-N 110.54 -3.027 . . . . 1.0 111.655 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.928 HD21 ' HA ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER 179.53 150.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.466 179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.0 -154.88 25.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.816 -0.707 . . . . 1.0 113.114 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.81 145.18 4.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.851 -0.674 . . . . 1.0 111.283 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -102.12 153.78 19.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.753 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.84 169.7 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.967 0 CA-C-O 122.238 1.018 . . . . 1.0 109.977 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.556 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.5 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.934 0 CA-C-N 112.116 -2.311 . . . . 1.0 112.538 179.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' ILE . 31.7 t70 -138.19 11.25 2.81 Favored 'General case' 0 C--N 1.279 -2.486 0 CA-C-N 108.936 -3.632 . . . . 1.0 108.942 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 17.9 tttt -104.96 170.32 7.94 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-O 122.792 1.282 . . . . 1.0 111.628 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -175.78 131.09 0.26 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 112.223 -2.262 . . . . 1.0 110.731 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.9 tttm -171.85 146.75 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.173 0.511 . . . . 1.0 111.506 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 59.1 m -60.88 170.72 1.42 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.487 -0.778 . . . . 1.0 110.462 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.741 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.85 29.11 1.4 Allowed 'General case' 0 N--CA 1.416 -2.161 0 CA-C-O 120.803 0.335 . . . . 1.0 111.461 -179.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.98 16.96 54.06 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.405 -0.902 . . . . 1.0 111.705 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.928 ' HA ' HD21 ' A' ' 20' ' ' LEU . 43.0 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.773 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.765 0.316 . . . . 1.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.752 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.32 154.48 20.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.935 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.47 81.87 1.69 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.82 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 48.45 81.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.752 HD23 ' CE1' ' A' ' 2' ' ' PHE . 0.4 OUTLIER -70.58 -61.59 1.71 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.904 -0.589 . . . . 1.0 111.151 -179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.536 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.88 -62.6 0.97 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.08 0.467 . . . . 1.0 110.436 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.41 -42.23 41.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.058 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -55.06 -48.46 73.44 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.481 178.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -44.15 -41.72 5.87 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 115.204 -0.907 . . . . 1.0 109.375 178.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -56.37 19.47 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 114.676 -1.147 . . . . 1.0 109.874 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.7 m -59.2 -23.85 62.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.722 -1.126 . . . . 1.0 110.609 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -38.47 64.7 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 121.328 0.585 . . . . 1.0 109.746 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.3 39.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.092 -0.958 . . . . 1.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -75.42 -66.65 0.74 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.884 0.373 . . . . 1.0 110.543 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.16 -48.73 78.76 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD22 ' OXT' ' A' ' 33' ' ' CYS . 1.2 mt -124.41 -168.09 1.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.82 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.1 -9.11 7.53 Favored Glycine 0 CA--C 1.477 -2.328 0 C-N-CA 120.663 -0.779 . . . . 1.0 113.591 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.1 m -83.55 97.4 9.02 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 116.374 -2.13 . . . . 1.0 109.456 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.62 -29.81 0.81 Allowed 'General case' 0 C--N 1.275 -2.646 0 CA-C-N 110.757 -2.929 . . . . 1.0 111.66 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 21' ' ' GLY . 38.2 tp -80.92 156.5 25.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.094 0.473 . . . . 1.0 110.834 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' H ' HD12 ' A' ' 20' ' ' LEU . . . 170.47 -155.19 24.52 Favored Glycine 0 N--CA 1.439 -1.114 0 CA-C-N 115.663 -0.699 . . . . 1.0 113.066 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.9 tttm -159.03 144.73 16.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.924 -0.638 . . . . 1.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.84 ' O ' HD13 ' A' ' 24' ' ' ILE . 50.0 t -102.96 154.59 19.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.66 -0.7 . . . . 1.0 111.026 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.84 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.13 172.08 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 122.321 1.057 . . . . 1.0 110.047 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.16 -66.3 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.9 -2.409 . . . . 1.0 112.136 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.3 m-20 -139.16 11.61 2.6 Favored 'General case' 0 C--N 1.281 -2.396 0 CA-C-N 108.99 -3.605 . . . . 1.0 108.96 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 12.6 tttt -105.37 170.5 7.84 Favored 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.872 1.32 . . . . 1.0 111.798 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.7 t -170.09 128.24 0.88 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 112.074 -2.33 . . . . 1.0 110.487 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -157.18 145.46 19.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 1.0 111.438 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 73.3 m -67.78 175.3 3.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.748 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -84.22 0.37 Allowed 'General case' 0 N--CA 1.415 -2.177 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.769 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.41 -19.38 57.57 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.759 -0.734 . . . . 1.0 112.531 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.707 ' OXT' HD22 ' A' ' 16' ' ' LEU . 20.1 p . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.37 -0.824 . . . . 1.0 111.241 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.816 0.341 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.47 154.73 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.15 83.35 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.765 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 43.01 80.62 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.072 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -68.5 -54.95 13.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.189 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 22.2 mtm180 -42.33 -61.66 1.14 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.176 0.513 . . . . 1.0 110.52 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mmm -50.84 -42.65 58.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.086 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -56.24 -45.4 80.0 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.458 -0.571 . . . . 1.0 109.458 178.881 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.25 -40.9 12.22 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.494 -0.776 . . . . 1.0 109.889 178.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.88 -55.01 22.68 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.83 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -53.02 -31.47 41.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.629 -1.168 . . . . 1.0 110.413 179.453 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -77.25 -39.23 49.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.402 -0.817 . . . . 1.0 109.631 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -71.45 -35.93 71.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.934 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -78.18 -47.84 17.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.476 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' SER . 14.8 t -55.13 -63.68 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.627 -0.715 . . . . 1.0 110.65 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' O ' ' O ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -166.07 -172.2 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.478 0.547 . . . . 1.0 112.478 -179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.17 54.43 1.85 Allowed Glycine 0 CA--C 1.469 -2.833 0 CA-C-N 115.767 -0.651 . . . . 1.0 113.128 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 63.6 m -108.54 96.08 6.1 Favored 'General case' 0 N--CA 1.41 -2.434 0 CA-C-O 124.129 1.919 . . . . 1.0 109.409 174.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -15.4 27.41 Favored 'General case' 0 C--N 1.259 -3.36 0 CA-C-N 109.901 -3.318 . . . . 1.0 111.998 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.54 160.61 40.83 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.716 0.77 . . . . 1.0 112.271 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . -169.74 -156.1 10.64 Favored Glycine 0 N--CA 1.425 -2.1 0 CA-C-N 114.61 -1.177 . . . . 1.0 113.02 178.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -160.97 145.49 13.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.024 -0.588 . . . . 1.0 111.774 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.85 ' O ' HD13 ' A' ' 24' ' ' ILE . 42.4 t -108.21 153.51 23.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.749 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -136.15 171.74 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.194 0 CA-C-O 122.364 1.078 . . . . 1.0 110.196 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -9.77 -66.29 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.869 0 CA-C-N 111.926 -2.397 . . . . 1.0 112.181 178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.0 OUTLIER -138.62 11.4 2.71 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 108.987 -3.606 . . . . 1.0 109.011 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 14.1 tttm -104.7 170.31 7.95 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-O 122.855 1.312 . . . . 1.0 111.751 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 38.2 t -171.53 131.88 0.74 Allowed 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 112.1 -2.318 . . . . 1.0 110.523 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.17 144.18 2.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.086 0.469 . . . . 1.0 111.346 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 44.8 m -66.16 171.35 4.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.269 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' C ' ' H ' ' A' ' 33' ' ' CYS . 3.7 m-85 -167.44 154.36 8.4 Favored 'General case' 0 N--CA 1.415 -2.222 0 CA-C-O 120.711 0.291 . . . . 1.0 111.102 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.17 -33.02 0.31 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.384 -0.913 . . . . 1.0 112.986 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' A' ' 31' ' ' TYR . 31.3 p . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.213 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.793 0.33 . . . . 1.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.33 149.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.48 79.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.843 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 46.11 81.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.827 -0.624 . . . . 1.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -76.91 -49.98 14.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.84 -0.618 . . . . 1.0 111.34 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.546 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.4 OUTLIER -42.36 -63.02 0.82 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.209 0.528 . . . . 1.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -40.02 63.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.269 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -43.77 77.67 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.814 179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -47.72 -41.5 23.03 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.661 -0.7 . . . . 1.0 109.836 178.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.58 -53.19 32.4 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 114.898 -1.046 . . . . 1.0 110.001 179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -46.97 -36.16 7.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.475 -1.239 . . . . 1.0 110.406 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.99 -44.0 56.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.462 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 12.7 ttm180 -60.49 -48.57 81.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.838 -1.074 . . . . 1.0 110.782 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -71.58 -54.71 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.0 t -53.59 -50.29 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.366 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mp -139.08 -79.79 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.333 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 13' ' ' ARG . . . 146.89 -9.88 1.36 Allowed Glycine 0 CA--C 1.477 -2.296 0 C-N-CA 120.677 -0.773 . . . . 1.0 113.617 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 75.7 m -80.49 97.12 6.99 Favored 'General case' 0 N--CA 1.421 -1.909 0 C-N-CA 116.254 -2.179 . . . . 1.0 109.782 176.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD23 ' HG3' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -50.57 86.8 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.704 0 CA-C-N 110.86 -2.882 . . . . 1.0 111.407 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 21' ' ' GLY . 5.8 tp -178.6 133.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.709 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.574 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 171.2 -155.32 24.24 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 121.072 -0.585 . . . . 1.0 113.144 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -169.1 147.33 3.81 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -0.647 . . . . 1.0 111.294 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.1 t -102.58 153.48 20.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -137.45 170.04 18.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.986 0 CA-C-O 122.299 1.047 . . . . 1.0 110.109 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.578 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.83 -65.85 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.944 0 CA-C-N 112.064 -2.334 . . . . 1.0 112.552 179.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.8 m-20 -137.05 10.66 3.06 Favored 'General case' 0 C--N 1.279 -2.471 0 CA-C-N 109.009 -3.595 . . . . 1.0 108.982 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.766 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.9 ttpp -102.42 170.01 8.32 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-O 122.898 1.332 . . . . 1.0 111.777 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 48.8 t -176.77 125.48 0.16 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 112.035 -2.348 . . . . 1.0 110.519 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.97 149.04 1.08 Allowed 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.306 0.574 . . . . 1.0 111.567 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.548 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.2 m -58.06 166.93 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.184 -0.917 . . . . 1.0 110.192 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -93.87 -81.91 0.36 Allowed 'General case' 0 N--CA 1.415 -2.18 0 CA-C-O 121.183 0.516 . . . . 1.0 111.18 -178.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.35 15.36 3.44 Favored Glycine 0 N--CA 1.443 -0.837 0 CA-C-N 115.459 -0.792 . . . . 1.0 111.397 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HA ' ' HB2' ' A' ' 18' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.239 -0.886 . . . . 1.0 110.434 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.848 0.356 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -163.86 154.51 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.982 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.78 82.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 54.12 81.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.812 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 2' ' ' PHE . 1.8 tm? -74.62 -67.01 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.285 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.96 -60.2 1.48 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.025 0.44 . . . . 1.0 110.597 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpp -52.34 -43.14 64.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -56.88 -42.38 79.72 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.557 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -48.09 -41.41 26.16 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.456 0.646 . . . . 1.0 109.628 178.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -50.61 -53.29 31.86 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.901 -1.045 . . . . 1.0 109.876 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -47.43 -34.31 7.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.424 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -72.68 -46.05 55.79 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 178.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -57.53 -46.8 83.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.118 -0.947 . . . . 1.0 110.49 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.91 -54.26 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.534 179.505 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' C ' HD22 ' A' ' 16' ' ' LEU . 32.5 t -57.8 -64.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.7 mm? -122.74 -82.75 0.65 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.188 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.56 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 145.7 -2.47 1.06 Allowed Glycine 0 CA--C 1.476 -2.397 0 CA-C-O 119.024 -0.875 . . . . 1.0 114.114 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 6.6 m -88.49 97.96 11.37 Favored 'General case' 0 N--CA 1.421 -1.907 0 C-N-CA 116.248 -2.181 . . . . 1.0 109.837 175.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -48.38 83.01 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.623 0 CA-C-N 110.595 -3.002 . . . . 1.0 111.973 179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 173.8 149.08 0.07 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.795 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 167.98 -154.78 25.06 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.942 -0.647 . . . . 1.0 113.003 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.49 144.59 22.93 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.956 -0.622 . . . . 1.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 8.2 t -106.01 153.29 22.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.788 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.75 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.99 169.38 20.7 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.946 0 CA-C-O 122.236 1.017 . . . . 1.0 109.865 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.564 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.25 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.878 0 CA-C-N 112.144 -2.298 . . . . 1.0 112.492 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' ILE . 23.5 t0 -138.92 11.65 2.65 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 108.88 -3.66 . . . . 1.0 108.907 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.75 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 8.1 ttmt -105.86 170.43 7.91 Favored 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 122.797 1.284 . . . . 1.0 111.532 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -173.71 134.95 0.5 Allowed 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 112.238 -2.256 . . . . 1.0 110.938 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -168.18 146.2 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 1.0 111.222 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 29.4 m -58.95 167.46 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.421 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.88 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -75.95 -86.14 0.05 OUTLIER 'General case' 0 N--CA 1.424 -1.74 0 CA-C-O 121.025 0.441 . . . . 1.0 110.573 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -102.19 7.72 54.77 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.129 -0.788 . . . . 1.0 111.129 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.206 -0.902 . . . . 1.0 110.948 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.43 149.26 50.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.13 80.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.56 80.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -80.87 -52.53 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.42 -179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -43.05 -62.5 1.02 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.096 0.474 . . . . 1.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' ' 8' ' ' CYS . 8.8 ptp -55.97 -37.14 68.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.309 179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.24 -41.74 80.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.662 -0.496 . . . . 1.0 109.662 179.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.1 OUTLIER -46.89 -41.5 15.96 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.742 -0.663 . . . . 1.0 109.85 178.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD12 ' HD2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -51.48 -54.0 31.51 Favored 'General case' 0 N--CA 1.435 -1.196 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.949 179.222 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.8 m -47.96 -34.5 9.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.488 -1.233 . . . . 1.0 110.589 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -75.04 -43.48 53.29 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.38 0.61 . . . . 1.0 109.53 179.038 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -61.89 -46.11 90.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.066 -0.97 . . . . 1.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HD2' HD12 ' A' ' 10' ' ' LEU . 13.8 mttt -72.38 -53.59 11.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.585 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.9 t -55.15 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.263 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' A' ' 33' ' ' CYS . 39.4 mt -139.38 -77.21 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.352 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 140.21 7.01 0.98 Allowed Glycine 0 CA--C 1.478 -2.235 0 C-N-CA 120.676 -0.773 . . . . 1.0 114.041 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.492 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 39.4 m -86.69 97.3 10.5 Favored 'General case' 0 N--CA 1.421 -1.895 0 C-N-CA 116.625 -2.03 . . . . 1.0 109.714 175.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.3 OUTLIER -51.32 76.69 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.703 0 CA-C-N 110.482 -3.054 . . . . 1.0 111.794 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' HG ' ' HB2' ' A' ' 31' ' ' TYR . 9.6 tp 179.4 140.6 0.12 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.22 -154.82 24.59 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 121.056 -0.593 . . . . 1.0 112.952 179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -157.15 141.96 16.85 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.974 -0.613 . . . . 1.0 111.208 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 52.4 t -103.78 153.79 20.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.795 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -136.62 169.92 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.978 0 CA-C-O 122.256 1.027 . . . . 1.0 110.057 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.575 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.72 -65.89 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.919 0 CA-C-N 112.105 -2.316 . . . . 1.0 112.576 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.9 m-20 -137.62 10.97 2.94 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 108.903 -3.648 . . . . 1.0 108.993 178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -104.54 170.02 8.13 Favored 'General case' 0 N--CA 1.424 -1.761 0 CA-C-O 122.769 1.271 . . . . 1.0 111.521 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.5 OUTLIER -177.64 132.87 0.16 Allowed 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 112.227 -2.26 . . . . 1.0 110.755 179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -169.1 144.14 3.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.05 0.452 . . . . 1.0 111.634 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.9 m -70.58 174.27 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 1.0 110.104 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 1.9 m-85 -82.75 47.88 1.26 Allowed 'General case' 0 N--CA 1.422 -1.83 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.59 13.6 31.85 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.309 -0.948 . . . . 1.0 111.685 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.679 ' HB2' HD13 ' A' ' 16' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.219 -0.896 . . . . 1.0 110.869 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.809 0.337 . . . . 1.0 111.076 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.804 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -176.33 153.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.862 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.09 81.86 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 52.72 82.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.804 HD23 ' CE1' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -72.26 -60.91 1.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.96 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.28 -60.89 1.32 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.979 0.418 . . . . 1.0 110.487 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.0 tpp -50.42 -43.69 54.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.013 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.15 -45.71 75.67 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.612 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.3 -41.56 19.32 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.907 178.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.67 -53.61 29.72 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.872 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -46.98 -34.07 5.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.483 -1.235 . . . . 1.0 110.368 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -73.13 -46.52 50.6 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.39 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HA ' ' HA2' ' A' ' 17' ' ' GLY . 2.2 tpt180 -57.03 -45.58 83.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.087 -0.961 . . . . 1.0 110.49 179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -54.74 7.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.552 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' C ' HD22 ' A' ' 16' ' ' LEU . 44.1 t -58.62 -64.7 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.223 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 15' ' ' SER . 4.4 mm? -119.18 -84.24 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.285 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.602 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 147.5 -6.09 1.04 Allowed Glycine 0 CA--C 1.474 -2.486 0 CA-C-O 119.042 -0.866 . . . . 1.0 114.064 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.44 ' HB3' HD21 ' A' ' 20' ' ' LEU . 7.5 m -86.65 98.06 10.91 Favored 'General case' 0 N--CA 1.42 -1.941 0 C-N-CA 116.153 -2.219 . . . . 1.0 109.77 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.602 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.63 83.69 0.0 OUTLIER 'General case' 0 C--N 1.275 -2.659 0 CA-C-N 110.657 -2.974 . . . . 1.0 112.154 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER 174.71 145.76 0.06 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.818 179.664 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.16 -154.89 25.18 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 121.028 -0.606 . . . . 1.0 112.913 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.25 143.96 16.92 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.958 -0.621 . . . . 1.0 111.292 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 49.0 t -105.64 153.54 21.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.675 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -135.52 172.26 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.25 0 CA-C-O 122.403 1.097 . . . . 1.0 110.234 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.65 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.39 -66.24 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.837 0 CA-C-N 111.832 -2.44 . . . . 1.0 112.174 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ILE . 12.9 t70 -138.29 11.2 2.79 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.974 178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.4 ttmm -103.92 170.06 8.14 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.856 1.312 . . . . 1.0 111.631 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 44.7 t -172.92 133.08 0.54 Allowed 'General case' 0 C--N 1.294 -1.836 0 CA-C-N 112.139 -2.301 . . . . 1.0 110.692 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -169.89 146.42 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 1.0 111.325 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 36.6 m -59.46 168.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.47 -0.787 . . . . 1.0 110.412 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.924 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.5 m-85 -76.98 -83.24 0.07 Allowed 'General case' 0 N--CA 1.423 -1.798 0 CA-C-O 121.09 0.471 . . . . 1.0 110.607 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -107.4 8.05 37.51 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.121 -0.943 . . . . 1.0 111.016 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.819 0.342 . . . . 1.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.929 ' CE1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER 61.45 154.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.47 77.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 37.27 76.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.39 -0.823 . . . . 1.0 111.253 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.929 HD12 ' CE1' ' A' ' 2' ' ' PHE . 0.4 OUTLIER -81.75 -42.98 19.02 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.283 -0.871 . . . . 1.0 111.201 -179.711 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.4 tmm_? -41.75 -59.87 1.53 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.876 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -50.41 -45.02 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.11 -0.496 . . . . 1.0 109.822 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.26 -44.54 84.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.218 -0.66 . . . . 1.0 109.218 178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.65 -40.46 13.16 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.341 -0.845 . . . . 1.0 109.762 178.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.01 -55.07 22.82 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.784 -1.098 . . . . 1.0 109.905 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -50.4 -34.98 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.356 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.649 ' HB3' ' HA ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -74.97 -40.99 60.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.417 178.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.2 -58.02 6.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.81 -1.087 . . . . 1.0 110.586 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -58.42 -50.84 72.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.543 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.697 ' O ' HD23 ' A' ' 16' ' ' LEU . 45.1 t -56.19 -62.55 1.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.697 HD23 ' O ' ' A' ' 15' ' ' SER . 27.3 mt -144.54 -163.12 1.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 1.0 111.391 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.57 44.3 1.52 Allowed Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.968 -0.634 . . . . 1.0 112.009 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 20' ' ' LEU . 40.9 t -126.41 27.78 6.11 Favored 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 125.488 2.565 . . . . 1.0 110.662 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -14.91 -43.59 0.0 OUTLIER 'General case' 1 C--N 1.225 -4.842 1 CA-C-N 106.416 -4.902 . . . . 1.0 113.976 -179.869 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.4 mm? -43.09 156.22 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.105 0.479 . . . . 1.0 111.604 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 170.42 -155.62 25.35 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.634 -0.712 . . . . 1.0 112.991 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.62 ' HA ' HD11 ' A' ' 5' ' ' LEU . 0.7 OUTLIER -176.02 145.81 0.66 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.028 -0.586 . . . . 1.0 111.662 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.851 ' O ' HD13 ' A' ' 24' ' ' ILE . 49.7 t -104.3 153.65 20.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.73 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -135.01 172.17 16.5 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.244 0 CA-C-O 122.34 1.067 . . . . 1.0 110.208 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.652 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.28 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.859 0 CA-C-N 111.924 -2.398 . . . . 1.0 112.138 178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.7 t0 -138.87 11.48 2.66 Favored 'General case' 0 C--N 1.281 -2.401 0 CA-C-N 109.051 -3.574 . . . . 1.0 108.904 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.623 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 3.4 ttpt -104.88 170.3 7.95 Favored 'General case' 0 N--CA 1.425 -1.698 0 CA-C-O 122.83 1.3 . . . . 1.0 111.66 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -171.28 132.86 0.81 Allowed 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 112.183 -2.281 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.17 144.85 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 76.3 m -63.69 -177.76 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.511 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.52 61.29 0.93 Allowed 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 121.078 0.466 . . . . 1.0 109.945 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.94 7.65 56.44 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.157 -1.02 . . . . 1.0 111.021 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.229 -0.891 . . . . 1.0 110.827 -179.761 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.705 ' HA ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.761 0.315 . . . . 1.0 111.038 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -132.62 147.66 52.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.833 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 33.99 78.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.926 -0.579 . . . . 1.0 111.78 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 41.82 80.31 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' ' 1' ' ' ALA . 1.1 tt -75.7 -57.5 3.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.152 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.9 tmm_? -42.04 -61.37 1.16 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.112 0.482 . . . . 1.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 tpt -50.38 -43.52 54.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.0 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.62 -45.84 77.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.484 -0.562 . . . . 1.0 109.484 178.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.4 mt-30 -46.57 -41.28 14.19 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.496 -0.774 . . . . 1.0 109.845 178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -54.59 26.5 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.921 -1.036 . . . . 1.0 109.853 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 15' ' ' SER . 41.0 t -47.08 -34.1 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.532 -1.213 . . . . 1.0 110.342 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.54 -44.23 29.31 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 108.908 -0.775 . . . . 1.0 108.908 178.331 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -55.09 -42.73 73.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.062 179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttm -80.14 -55.32 5.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.416 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' SER . 27.3 t -61.21 -66.14 0.58 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.486 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -118.31 -86.56 0.64 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.505 -0.316 . . . . 1.0 111.545 -179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' O ' HD23 ' A' ' 19' ' ' LEU . . . 154.27 6.95 0.09 OUTLIER Glycine 0 CA--C 1.481 -2.058 0 C-N-CA 120.306 -0.949 . . . . 1.0 114.667 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.3 m -89.31 96.9 10.91 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 116.559 -2.057 . . . . 1.0 109.94 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD23 ' O ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -46.34 -28.09 1.23 Allowed 'General case' 0 C--N 1.272 -2.784 0 CA-C-N 110.618 -2.992 . . . . 1.0 112.053 179.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD12 ' HB2' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -87.83 156.57 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.152 0.501 . . . . 1.0 111.107 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.92 -155.31 25.07 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.548 -0.751 . . . . 1.0 113.035 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HE3' ' CZ ' ' A' ' 2' ' ' PHE . 8.9 mmmm -151.73 142.81 23.17 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.944 -0.628 . . . . 1.0 111.173 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.427 ' C ' HD12 ' A' ' 24' ' ' ILE . 17.7 t -110.1 152.8 25.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.871 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.803 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.4 mp -135.97 169.6 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 CA-C-O 122.069 0.937 . . . . 1.0 109.861 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.15 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.055 0 CA-C-N 112.349 -2.205 . . . . 1.0 112.314 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.6 m-20 -140.81 11.79 2.25 Favored 'General case' 0 C--N 1.277 -2.566 0 CA-C-N 108.656 -3.772 . . . . 1.0 109.25 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.803 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.82 170.59 7.81 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.862 1.315 . . . . 1.0 111.74 -179.687 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.46 134.68 4.02 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 112.038 -2.346 . . . . 1.0 110.648 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -154.94 130.18 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 1.0 111.07 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 36.0 m -70.72 168.47 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.632 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.686 ' HB2' HD12 ' A' ' 20' ' ' LEU . 2.7 m-85 -81.78 -83.48 0.12 Allowed 'General case' 0 N--CA 1.422 -1.861 0 CA-C-O 120.921 0.391 . . . . 1.0 111.014 -179.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -76.05 -6.15 82.04 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.557 -0.83 . . . . 1.0 111.858 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.554 ' O ' HD13 ' A' ' 16' ' ' LEU . 86.8 m . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.265 -0.874 . . . . 1.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.821 0.343 . . . . 1.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.422 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -138.48 153.24 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.909 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.08 77.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.512 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 42.25 78.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.477 -0.783 . . . . 1.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -78.73 -67.18 0.77 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 1.0 111.137 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -41.78 -58.63 1.93 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.899 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -50.07 -46.05 53.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 1.0 109.818 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.31 -44.55 80.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.38 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -47.97 -40.86 23.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.808 178.738 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.18 -53.46 34.66 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 114.824 -1.08 . . . . 1.0 110.039 179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 20.8 p -47.87 -36.64 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.603 -1.181 . . . . 1.0 110.484 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -77.31 -40.75 43.21 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.656 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -59.72 -48.54 81.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.856 -1.065 . . . . 1.0 110.322 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -73.17 -55.71 6.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.381 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.527 ' C ' HD12 ' A' ' 16' ' ' LEU . 31.2 t -55.94 -46.05 78.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.24 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 15' ' ' SER . 4.8 mp -147.15 -88.52 0.09 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.458 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 159.19 44.68 0.02 OUTLIER Glycine 0 CA--C 1.473 -2.559 0 C-N-CA 120.636 -0.792 . . . . 1.0 113.597 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -110.93 95.76 5.74 Favored 'General case' 0 N--CA 1.42 -1.971 0 CA-C-O 124.28 1.99 . . . . 1.0 110.236 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.791 ' H ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -50.0 -75.18 0.03 OUTLIER 'General case' 0 C--N 1.267 -3.011 0 CA-C-N 109.655 -3.43 . . . . 1.0 112.287 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -58.25 157.35 8.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.151 0.5 . . . . 1.0 111.438 -179.768 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.719 ' H ' HD13 ' A' ' 20' ' ' LEU . . . 173.83 -155.69 22.38 Favored Glycine 0 N--CA 1.436 -1.317 0 CA-C-N 115.445 -0.798 . . . . 1.0 113.26 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -151.73 141.04 21.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.887 -0.656 . . . . 1.0 110.986 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.798 ' O ' HD13 ' A' ' 24' ' ' ILE . 44.1 t -107.69 154.35 21.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.046 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 23' ' ' CYS . 1.3 mm -133.5 172.1 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.322 0 CA-C-O 122.293 1.044 . . . . 1.0 109.99 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.07 -66.42 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.866 0 CA-C-N 112.015 -2.357 . . . . 1.0 111.91 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.2 p30 -140.4 12.24 2.35 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 109.001 -3.6 . . . . 1.0 108.939 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 32.4 tttt -105.65 170.45 7.88 Favored 'General case' 0 N--CA 1.425 -1.712 0 CA-C-O 122.911 1.339 . . . . 1.0 111.88 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.78 133.06 9.84 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 112.075 -2.33 . . . . 1.0 110.674 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 129.88 14.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.981 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.476 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 8.9 m -79.84 168.46 19.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.469 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -156.03 -47.03 0.08 Allowed 'General case' 0 N--CA 1.415 -2.189 0 CA-C-O 120.907 0.384 . . . . 1.0 111.867 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 20' ' ' LEU . . . -42.47 -28.95 0.64 Allowed Glycine 0 C--N 1.331 0.304 0 CA-C-N 115.889 -0.596 . . . . 1.0 113.295 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.223 -0.894 . . . . 1.0 110.679 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.823 0.344 . . . . 1.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.63 149.26 26.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -65.56 78.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 41.72 79.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -78.45 -60.37 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.062 -179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.541 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 37.1 mtm180 -42.18 -61.13 1.24 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.45 . . . . 1.0 110.614 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -49.35 -44.31 44.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.84 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -54.87 -47.52 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.43 178.602 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 1.1 mt-30 -46.12 -41.18 12.06 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.113 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.99 -54.54 28.59 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.93 -1.032 . . . . 1.0 110.085 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.1 p -48.98 -36.04 16.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.59 -1.186 . . . . 1.0 110.625 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.4 OUTLIER -78.31 -39.12 40.66 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-O 121.51 0.672 . . . . 1.0 109.196 178.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.85 -47.79 84.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.905 -1.043 . . . . 1.0 110.086 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -73.39 -55.08 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 1.0 110.133 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.793 ' C ' HD22 ' A' ' 16' ' ' LEU . 33.2 t -56.13 -58.85 6.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.142 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 15' ' ' SER . 3.7 mm? -133.65 -89.24 0.39 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.563 -0.289 . . . . 1.0 111.431 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 163.07 38.26 0.02 OUTLIER Glycine 0 CA--C 1.475 -2.414 0 C-N-CA 120.679 -0.772 . . . . 1.0 113.824 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 30.4 m -105.79 95.91 6.12 Favored 'General case' 0 N--CA 1.422 -1.863 0 CA-C-O 124.255 1.979 . . . . 1.0 110.049 174.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -55.36 -46.53 76.44 Favored 'General case' 0 C--N 1.266 -3.023 0 CA-C-N 109.664 -3.426 . . . . 1.0 112.332 -179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 21' ' ' GLY . 0.2 OUTLIER -86.3 154.33 21.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.128 0.49 . . . . 1.0 111.556 -179.334 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 20' ' ' LEU . . . 176.35 -155.27 18.61 Favored Glycine 0 N--CA 1.434 -1.468 0 CA-C-N 115.745 -0.662 . . . . 1.0 113.403 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -147.97 142.01 25.96 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.845 -0.678 . . . . 1.0 111.161 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.0 t -113.53 152.73 29.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.771 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.3 mt -137.06 172.08 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.212 0 CA-C-O 122.359 1.076 . . . . 1.0 110.234 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.645 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.05 -66.25 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.925 0 CA-C-N 111.857 -2.428 . . . . 1.0 112.211 179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 24' ' ' ILE . 2.5 p30 -138.23 11.11 2.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 109.039 -3.58 . . . . 1.0 109.009 178.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' HD2' HD12 ' A' ' 24' ' ' ILE . 1.3 ttmt -102.32 169.93 8.39 Favored 'General case' 0 N--CA 1.426 -1.665 0 CA-C-O 122.906 1.336 . . . . 1.0 111.836 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -169.25 132.12 1.26 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 112.081 -2.327 . . . . 1.0 110.555 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -160.31 130.55 5.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.914 0.388 . . . . 1.0 111.28 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.559 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.7 m -77.66 161.57 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.157 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.549 ' O ' HD11 ' A' ' 20' ' ' LEU . 40.6 m-85 -158.9 118.52 3.09 Favored 'General case' 0 N--CA 1.415 -2.224 0 N-CA-C 112.208 0.447 . . . . 1.0 112.208 -178.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 87.98 -39.03 3.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.58 -0.819 . . . . 1.0 113.136 179.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.6 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.196 -0.907 . . . . 1.0 110.73 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.822 0.344 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.37 149.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -55.66 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.069 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 49.33 82.43 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.5 tm? -73.46 -63.96 1.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.243 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 24.8 ttt180 -42.81 -62.95 0.87 Allowed 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.146 0.498 . . . . 1.0 110.095 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.6 tpp -52.07 -40.25 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.316 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.92 -45.22 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.601 -0.518 . . . . 1.0 109.601 179.053 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -45.7 -41.4 10.45 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.857 178.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.49 -55.01 24.92 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.895 -1.048 . . . . 1.0 109.963 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 15' ' ' SER . 38.4 m -50.18 -29.3 9.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.581 -1.191 . . . . 1.0 110.535 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -79.16 -43.47 23.9 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 178.683 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -56.41 -38.52 71.67 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.379 -0.828 . . . . 1.0 110.114 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -55.32 4.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.806 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' SER . 23.3 t -62.68 -68.09 0.36 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.575 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.6 mt -153.3 134.29 13.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.264 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.27 51.22 2.48 Favored Glycine 0 CA--C 1.479 -2.194 0 N-CA-C 114.724 0.649 . . . . 1.0 114.724 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -117.64 95.48 4.96 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 123.938 1.828 . . . . 1.0 109.725 173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -37.85 -33.46 0.08 Allowed 'General case' 0 C--N 1.269 -2.912 0 CA-C-N 109.977 -3.283 . . . . 1.0 112.191 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.974 HD12 ' HB3' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -76.69 156.36 32.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.169 0.509 . . . . 1.0 111.071 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.495 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 165.27 -154.51 25.3 Favored Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 115.535 -0.757 . . . . 1.0 112.638 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -158.52 142.42 15.46 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.081 -0.559 . . . . 1.0 111.67 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 18.0 t -117.62 146.43 43.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.701 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.765 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -138.56 171.21 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.974 0 CA-C-O 122.621 1.201 . . . . 1.0 110.441 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.61 -65.1 0.01 OUTLIER Glycine 0 CA--C 1.469 -2.81 0 CA-C-N 111.745 -2.479 . . . . 1.0 113.261 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -130.69 7.63 4.83 Favored 'General case' 0 C--N 1.282 -2.343 0 CA-C-N 109.513 -3.343 . . . . 1.0 108.882 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.765 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 0.5 OUTLIER -94.41 169.84 9.92 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-O 122.84 1.305 . . . . 1.0 111.717 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.9 t 176.74 121.27 0.03 OUTLIER 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.062 -2.335 . . . . 1.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.52 142.53 5.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.964 0.411 . . . . 1.0 111.236 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 5.5 m -63.46 -163.97 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.944 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.974 ' HB3' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -133.49 29.74 3.89 Favored 'General case' 0 N--CA 1.414 -2.232 0 CA-C-O 120.846 0.355 . . . . 1.0 111.73 179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.95 32.25 1.4 Allowed Glycine 0 C--N 1.332 0.357 0 C-N-CA 121.198 -0.525 . . . . 1.0 113.135 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.857 ' CA ' HD11 ' A' ' 20' ' ' LEU . 66.8 m . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.273 -0.87 . . . . 1.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.866 0.365 . . . . 1.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.61 ' CZ ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -140.45 153.6 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.909 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -118.34 80.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 45.63 80.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.792 -0.64 . . . . 1.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.61 HD12 ' CZ ' ' A' ' 2' ' ' PHE . 1.2 tt -75.59 -58.76 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.545 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.7 OUTLIER -41.64 -60.43 1.34 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.087 0.47 . . . . 1.0 110.585 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.8 ttt -50.57 -44.67 56.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.965 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -55.37 -44.89 76.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.903 -0.589 . . . . 1.0 109.53 178.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -47.5 -41.92 21.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.882 178.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.76 -53.2 33.69 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.935 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.0 t -49.9 -28.3 6.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.817 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.68 -46.82 57.65 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.239 0.542 . . . . 1.0 110.064 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -44.44 94.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.635 179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.94 -53.29 10.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t -58.09 -64.47 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.194 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.707 HD13 ' HA ' ' A' ' 33' ' ' CYS . 9.1 mt -119.52 -83.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.17 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.32 -20.16 0.83 Allowed Glycine 0 CA--C 1.478 -2.261 0 CA-C-O 119.021 -0.877 . . . . 1.0 113.64 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 33' ' ' CYS . 50.3 m -76.77 97.46 4.51 Favored 'General case' 0 N--CA 1.423 -1.815 0 C-N-CA 115.9 -2.32 . . . . 1.0 109.767 177.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD21 ' OE1' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -49.99 87.38 0.0 OUTLIER 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 110.733 -2.94 . . . . 1.0 111.422 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.37 150.29 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 164.24 -154.87 25.96 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.802 -0.714 . . . . 1.0 113.058 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -167.53 142.93 3.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.812 -0.694 . . . . 1.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.4 t -100.89 154.52 18.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.754 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -135.52 169.49 20.88 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 CA-C-O 122.151 0.977 . . . . 1.0 109.878 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.551 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.12 -66.02 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.964 0 CA-C-N 112.197 -2.274 . . . . 1.0 112.419 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 24' ' ' ILE . 7.2 t70 -138.9 11.55 2.65 Favored 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 108.837 -3.681 . . . . 1.0 108.975 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.754 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.1 ttmt -104.69 170.31 7.95 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-O 122.865 1.317 . . . . 1.0 111.778 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -171.48 128.97 0.68 Allowed 'General case' 0 C--N 1.294 -1.82 0 CA-C-N 112.103 -2.317 . . . . 1.0 110.57 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -163.16 143.72 9.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 1.0 111.279 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.512 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 65.8 m -68.49 171.15 7.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 21' ' ' GLY . 9.3 m-85 -83.2 54.76 2.89 Favored 'General case' 0 N--CA 1.42 -1.951 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.032 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.6 -5.42 81.57 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.549 -0.834 . . . . 1.0 112.006 -178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.707 ' HA ' HD13 ' A' ' 16' ' ' LEU . 35.9 t . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.231 -0.89 . . . . 1.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.84 0.352 . . . . 1.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CD1' ' HB3' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -87.52 149.24 24.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.57 90.98 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.118 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 48.74 82.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.2 tm? -73.4 -66.48 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.323 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.64 -61.97 1.11 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.086 0.47 . . . . 1.0 110.418 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.3 ttm -51.45 -41.6 60.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.321 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -56.09 -45.25 79.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.477 -0.564 . . . . 1.0 109.477 178.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.4 OUTLIER -45.63 -41.32 10.05 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.661 -0.699 . . . . 1.0 109.813 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -55.11 25.03 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.995 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 1.1 m -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.478 179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -79.22 -42.52 25.79 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 178.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -56.55 -40.75 75.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.165 -0.925 . . . . 1.0 109.984 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -82.29 -54.84 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.446 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.745 ' O ' HD12 ' A' ' 16' ' ' LEU . 23.8 t -61.59 -67.1 0.44 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.4 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.745 HD12 ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -159.47 137.07 9.97 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.834 0.349 . . . . 1.0 111.3 -179.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 53.15 1.75 Allowed Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 114.664 0.626 . . . . 1.0 114.664 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 56.6 m -117.05 95.42 4.99 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-O 123.825 1.774 . . . . 1.0 109.409 173.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.838 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.88 -27.8 0.57 Allowed 'General case' 0 C--N 1.26 -3.313 0 CA-C-N 110.362 -3.108 . . . . 1.0 111.615 178.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD23 ' H ' ' A' ' 32' ' ' GLY . 35.8 tp -76.84 153.69 34.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.446 179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 160.39 -154.23 25.23 Favored Glycine 0 CA--C 1.503 -0.662 0 C-N-CA 121.044 -0.598 . . . . 1.0 112.434 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -161.18 145.52 13.45 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.212 0.53 . . . . 1.0 111.879 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 2' ' ' PHE . 16.0 t -117.61 145.79 44.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.591 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.794 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -138.09 171.3 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 CA-C-O 122.56 1.172 . . . . 1.0 110.403 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -11.5 -65.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.883 0 CA-C-N 111.698 -2.501 . . . . 1.0 113.225 179.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.06 7.77 4.69 Favored 'General case' 0 C--N 1.282 -2.365 0 CA-C-N 109.466 -3.367 . . . . 1.0 108.876 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.794 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 5.0 tttp -95.55 169.68 9.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-O 122.825 1.298 . . . . 1.0 111.609 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 43.9 t 174.31 124.68 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 112.041 -2.345 . . . . 1.0 110.61 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.92 142.98 1.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.011 0.434 . . . . 1.0 111.454 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 3.0 m -67.54 -173.2 0.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CD2' ' HA2' ' A' ' 21' ' ' GLY . 0.9 OUTLIER -145.28 -97.64 0.1 Allowed 'General case' 0 N--CA 1.42 -1.955 0 N-CA-C 112.556 0.576 . . . . 1.0 112.556 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.605 ' H ' HD23 ' A' ' 20' ' ' LEU . . . -125.79 36.69 2.68 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.26 -0.971 . . . . 1.0 113.067 -179.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 18' ' ' CYS . 1.8 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.255 -0.878 . . . . 1.0 110.775 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 1.0 111.065 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.34 149.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 79.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.7 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 44.73 79.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.729 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.1 tt -75.14 -50.45 16.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.593 -0.73 . . . . 1.0 111.644 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 4.6 ttp85 -43.78 -64.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.1 0.476 . . . . 1.0 110.276 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.9 ptm -53.21 -37.1 61.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.291 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -56.45 -45.92 80.57 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.579 -0.526 . . . . 1.0 109.579 178.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -43.99 -41.52 5.43 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 115.391 -0.822 . . . . 1.0 109.46 178.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 10' ' ' LEU . 0.3 OUTLIER -53.86 -57.17 11.9 Favored 'General case' 0 N--CA 1.432 -1.37 0 CA-C-N 114.737 -1.12 . . . . 1.0 109.697 179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -57.22 -26.44 60.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.588 -1.187 . . . . 1.0 110.371 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.4 OUTLIER -76.19 -39.74 54.05 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 108.834 -0.802 . . . . 1.0 108.834 178.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.6 ttm-85 -65.68 -51.85 56.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.957 -1.019 . . . . 1.0 110.164 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -63.19 -50.3 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 1.0 109.954 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.5 t -55.24 -60.48 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.004 -0.543 . . . . 1.0 111.125 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' CYS . 15.1 mt -153.47 131.76 11.98 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.888 0.375 . . . . 1.0 111.272 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.25 -25.48 0.15 Allowed Glycine 0 CA--C 1.479 -2.194 0 CA-C-O 118.877 -0.957 . . . . 1.0 114.435 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' CB ' ' HA ' ' A' ' 33' ' ' CYS . 35.2 m -74.01 97.79 2.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.639 -2.424 . . . . 1.0 109.833 177.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -53.16 -29.26 30.43 Favored 'General case' 0 C--N 1.275 -2.632 0 CA-C-N 110.579 -3.009 . . . . 1.0 111.933 -179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.21 150.51 17.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.538 -0.301 . . . . 1.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 168.31 -155.22 25.73 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.873 -0.679 . . . . 1.0 113.241 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.27 145.86 1.35 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.852 -0.674 . . . . 1.0 111.221 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.3 t -101.92 153.55 19.76 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.746 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -136.8 169.93 19.11 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.977 0 CA-C-O 122.261 1.029 . . . . 1.0 110.102 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.569 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.65 -65.91 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.938 0 CA-C-N 112.038 -2.346 . . . . 1.0 112.57 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ILE . 1.4 p30 -137.49 10.9 2.96 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 108.977 -3.611 . . . . 1.0 108.97 178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.758 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.3 tttt -103.2 170.11 8.15 Favored 'General case' 0 N--CA 1.426 -1.644 0 CA-C-O 122.853 1.311 . . . . 1.0 111.779 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 46.1 t -176.33 125.76 0.19 Allowed 'General case' 0 C--N 1.294 -1.823 0 CA-C-N 112.131 -2.304 . . . . 1.0 110.641 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -172.17 147.53 2.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.187 0.518 . . . . 1.0 111.468 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 79.1 m -60.31 173.56 0.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.542 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -86.16 45.04 1.18 Allowed 'General case' 0 N--CA 1.42 -1.969 0 CA-C-O 120.796 0.332 . . . . 1.0 111.339 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 58.62 17.08 32.45 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.355 -0.926 . . . . 1.0 111.7 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' HA ' ' CB ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.797 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.793 0.33 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 63.16 140.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.25 94.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.39 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m120 47.59 81.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -75.39 -67.6 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.23 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -41.98 -60.97 1.24 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.139 0.495 . . . . 1.0 110.602 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.9 ttm -51.99 -42.69 63.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.296 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.2 m -56.91 -43.36 81.3 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.479 -0.563 . . . . 1.0 109.479 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.585 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.2 OUTLIER -46.19 -41.7 13.05 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.723 -0.671 . . . . 1.0 109.687 178.528 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.79 -55.08 21.96 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.708 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -53.56 -27.25 25.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.505 -1.225 . . . . 1.0 110.375 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -77.49 -42.6 35.16 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.959 -0.756 . . . . 1.0 108.959 178.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -42.49 88.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.21 -0.905 . . . . 1.0 110.034 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -78.34 -53.29 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.5 t -60.23 -66.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.211 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 ' CB ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -161.96 135.84 6.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.984 0.421 . . . . 1.0 111.258 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.37 55.35 0.64 Allowed Glycine 0 CA--C 1.481 -2.06 0 N-CA-C 115.103 0.801 . . . . 1.0 115.103 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.447 ' HB2' ' OXT' ' A' ' 33' ' ' CYS . 44.8 m -114.61 95.39 5.22 Favored 'General case' 0 N--CA 1.423 -1.795 0 CA-C-O 123.878 1.799 . . . . 1.0 109.528 173.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.42 -30.57 0.34 Allowed 'General case' 0 C--N 1.269 -2.913 0 CA-C-N 110.108 -3.224 . . . . 1.0 111.629 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 31' ' ' TYR . 3.2 mm? -75.14 158.31 33.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.285 0.564 . . . . 1.0 111.224 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 169.55 -155.61 25.86 Favored Glycine 0 N--CA 1.442 -0.959 0 CA-C-N 115.284 -0.871 . . . . 1.0 112.577 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -176.22 145.6 0.62 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.128 -0.536 . . . . 1.0 111.755 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -105.59 151.71 24.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.267 179.388 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 1.3 mp -135.91 169.63 20.33 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.07 0 CA-C-O 122.125 0.964 . . . . 1.0 110.194 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.635 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -7.28 -66.15 0.01 OUTLIER Glycine 0 CA--C 1.465 -3.087 0 CA-C-N 112.249 -2.25 . . . . 1.0 112.503 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 24' ' ' ILE . 4.6 t0 -139.72 11.41 2.47 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 108.716 -3.742 . . . . 1.0 109.184 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.823 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 2.3 ttmt -105.98 170.61 7.8 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 122.872 1.32 . . . . 1.0 111.404 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.0 t -170.86 135.2 1.05 Allowed 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 112.095 -2.321 . . . . 1.0 110.71 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.99 144.97 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.073 0.463 . . . . 1.0 111.3 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 10.8 m -62.85 -173.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.288 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' CG ' ' HB3' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -80.54 58.44 3.2 Favored 'General case' 0 N--CA 1.422 -1.831 0 CA-C-O 121.117 0.484 . . . . 1.0 110.668 -179.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.99 -4.27 76.38 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.452 -0.88 . . . . 1.0 111.788 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.447 ' OXT' ' HB2' ' A' ' 18' ' ' CYS . 2.7 p . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.156 -0.926 . . . . 1.0 111.061 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.812 0.339 . . . . 1.0 111.069 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.793 ' CE1' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER 61.45 153.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.949 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -119.31 81.95 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 53.25 82.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD23 ' CE1' ' A' ' 2' ' ' PHE . 0.6 OUTLIER -71.42 -60.1 2.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.031 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 1.2 mpt_? -42.14 -61.94 1.05 Allowed 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.143 0.497 . . . . 1.0 110.385 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.66 -42.8 57.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.137 178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -55.11 -45.9 75.54 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.605 -0.517 . . . . 1.0 109.605 178.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.911 ' HG2' HD13 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -46.66 -41.7 15.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.93 178.787 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -53.84 32.29 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.912 179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.65 -34.83 8.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.514 -1.221 . . . . 1.0 110.518 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.75 -44.3 56.56 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.791 -0.641 . . . . 1.0 109.543 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 ttp85 -60.59 -45.35 94.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.006 -0.997 . . . . 1.0 110.41 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -73.21 -54.02 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 16' ' ' LEU . 46.3 t -57.07 -63.61 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.513 HD22 ' O ' ' A' ' 15' ' ' SER . 4.3 mm? -122.35 -84.65 0.66 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.11 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.81 -31.75 0.51 Allowed Glycine 0 CA--C 1.476 -2.36 0 CA-C-O 118.885 -0.953 . . . . 1.0 113.606 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -74.07 97.51 2.9 Favored 'General case' 0 N--CA 1.422 -1.83 0 C-N-CA 115.654 -2.418 . . . . 1.0 109.946 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.911 HD13 ' HG2' ' A' ' 9' ' ' GLN . 0.1 OUTLIER -54.94 94.92 0.01 OUTLIER 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.116 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.541 HD11 ' HD2' ' A' ' 31' ' ' TYR . 8.6 tp 177.65 133.11 0.07 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.211 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 172.19 -154.8 22.29 Favored Glycine 0 N--CA 1.438 -1.217 0 C-N-CA 120.994 -0.622 . . . . 1.0 113.134 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -150.31 143.33 24.82 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.928 -0.636 . . . . 1.0 111.2 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 50.9 t -105.21 153.75 21.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.833 HD12 ' HD2' ' A' ' 27' ' ' LYS . 1.2 mt -136.08 172.3 15.7 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.242 0 CA-C-O 122.451 1.119 . . . . 1.0 110.223 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.643 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.61 -66.22 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.905 0 CA-C-N 111.798 -2.456 . . . . 1.0 112.286 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.1 t70 -137.67 10.87 2.92 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 109.119 -3.541 . . . . 1.0 108.94 178.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.833 ' HD2' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -104.44 170.11 8.09 Favored 'General case' 0 N--CA 1.425 -1.718 0 CA-C-O 122.84 1.305 . . . . 1.0 111.54 -179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 49.2 t -176.06 131.76 0.24 Allowed 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 112.225 -2.262 . . . . 1.0 110.68 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.46 144.8 4.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.139 0.495 . . . . 1.0 111.634 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 11.3 m -67.48 172.81 4.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.574 -0.739 . . . . 1.0 110.258 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -82.13 -82.82 0.13 Allowed 'General case' 0 N--CA 1.42 -1.969 0 CA-C-O 121.235 0.541 . . . . 1.0 110.769 -179.245 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -121.45 10.06 9.94 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.343 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.202 -0.904 . . . . 1.0 110.901 -179.768 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.854 0.359 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.34 149.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -65.89 79.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.788 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 43.76 78.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 0.9 OUTLIER -82.28 -49.72 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 1.0 111.517 -179.5 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -42.42 -62.21 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.203 0.525 . . . . 1.0 110.577 -179.699 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.3 ptm -54.26 -39.52 66.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.812 -0.631 . . . . 1.0 110.396 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.1 m -57.61 -42.21 82.82 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.611 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.3 -41.45 13.22 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.662 178.613 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.01 -54.96 23.66 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.938 -1.028 . . . . 1.0 109.817 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -48.49 -31.15 5.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.537 -1.21 . . . . 1.0 110.492 179.519 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -76.46 -45.59 30.56 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -55.02 -42.87 73.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.301 -0.863 . . . . 1.0 110.286 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.38 -54.71 5.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.588 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 11' ' ' SER . 32.7 t -60.88 -66.16 0.58 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.461 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 12' ' ' CYS . 16.0 mt -135.09 110.24 8.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.87 0.367 . . . . 1.0 111.412 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.32 -22.43 0.21 Allowed Glycine 0 CA--C 1.48 -2.145 0 CA-C-O 118.862 -0.966 . . . . 1.0 114.568 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.625 ' HB3' HD21 ' A' ' 20' ' ' LEU . 58.2 m -73.55 97.37 2.59 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 115.817 -2.353 . . . . 1.0 110.133 177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.704 ' O ' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -61.44 105.62 0.54 Allowed 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 110.63 -2.986 . . . . 1.0 111.313 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.799 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.4 OUTLIER 168.94 151.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.439 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 162.42 -154.83 25.92 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.664 -0.779 . . . . 1.0 113.249 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -163.34 143.64 8.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.852 -0.674 . . . . 1.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 51.0 t -102.17 154.74 18.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.74 ' HB ' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -135.15 169.46 21.24 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-O 122.195 0.997 . . . . 1.0 109.831 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.56 ' N ' HG23 ' A' ' 24' ' ' ILE . . . -8.22 -65.99 0.01 OUTLIER Glycine 0 CA--C 1.468 -2.891 0 CA-C-N 112.2 -2.273 . . . . 1.0 112.502 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.8 p30 -138.94 11.57 2.64 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 108.816 -3.692 . . . . 1.0 108.968 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.74 ' HB3' ' HB ' ' A' ' 24' ' ' ILE . 7.9 tttm -105.91 170.51 7.86 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-O 122.829 1.299 . . . . 1.0 111.614 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 0.4 OUTLIER -173.88 133.37 0.44 Allowed 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 112.192 -2.276 . . . . 1.0 110.824 179.728 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 144.02 6.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.249 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 62.2 m -65.22 172.99 2.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.799 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -91.1 28.4 1.62 Allowed 'General case' 0 N--CA 1.416 -2.158 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.36 -179.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 60.84 18.83 54.66 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.361 -0.924 . . . . 1.0 111.544 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.647 ' HA ' HD11 ' A' ' 20' ' ' LEU . 41.2 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.195 -0.907 . . . . 1.0 110.711 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.813 0.34 . . . . 1.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' CE1' ' HG ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 61.13 156.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.021 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.64 82.19 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 49.86 80.82 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.442 HD22 ' OE1' ' A' ' 9' ' ' GLN . 1.2 tt -77.59 -66.61 0.81 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.729 -0.668 . . . . 1.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' GLN . 2.5 ttm180 -41.89 -60.7 1.31 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.178 0.514 . . . . 1.0 110.669 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.9 tpp -51.29 -43.53 61.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.114 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.39 -44.31 80.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.582 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -46.5 -41.55 14.28 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.904 178.6 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.23 -54.62 24.01 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.001 -0.999 . . . . 1.0 109.805 179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -51.46 -36.47 44.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.52 -1.218 . . . . 1.0 110.402 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -68.14 -42.72 79.73 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 109.305 -0.628 . . . . 1.0 109.305 178.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -70.07 -29.42 66.41 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.012 -0.995 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -77.34 -66.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.744 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.42 -63.56 1.19 Allowed 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.962 -179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD13 ' A' ' 16' ' ' LEU . 3.5 mm? -120.09 -93.5 0.52 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.725 -0.216 . . . . 1.0 111.552 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' CYS . . . 156.29 -10.48 0.31 Allowed Glycine 0 CA--C 1.48 -2.136 0 C-N-CA 120.296 -0.954 . . . . 1.0 114.357 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 7.4 m -78.02 97.38 5.36 Favored 'General case' 0 N--CA 1.424 -1.761 0 C-N-CA 115.858 -2.337 . . . . 1.0 109.997 177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD21 ' HG2' ' A' ' 9' ' ' GLN . 0.5 OUTLIER -33.37 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 110.436 -3.075 . . . . 1.0 112.22 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 ' CB ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -56.36 152.61 11.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 1.0 111.056 179.858 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.458 ' HA3' ' HA ' ' A' ' 30' ' ' CYS . . . 166.14 -155.21 26.3 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.194 -0.526 . . . . 1.0 112.849 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -171.57 148.39 2.48 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.947 -0.626 . . . . 1.0 111.496 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 28' ' ' CYS . 7.3 t -112.01 152.21 28.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.213 -0.903 . . . . 1.0 110.627 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' HD3' ' A' ' 27' ' ' LYS . 1.2 mt -136.06 172.01 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 CA-C-O 122.405 1.098 . . . . 1.0 110.318 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -10.13 -66.19 0.01 OUTLIER Glycine 0 CA--C 1.467 -2.928 0 CA-C-N 111.822 -2.444 . . . . 1.0 112.319 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' ILE . 32.4 p30 -138.13 11.14 2.82 Favored 'General case' 0 C--N 1.281 -2.399 0 CA-C-N 109.047 -3.576 . . . . 1.0 108.971 178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.646 ' HD3' HD12 ' A' ' 24' ' ' ILE . 19.4 tttm -103.95 169.97 8.19 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 122.798 1.285 . . . . 1.0 111.582 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 18.8 t -173.72 133.35 0.46 Allowed 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 112.165 -2.289 . . . . 1.0 110.626 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -170.14 143.43 2.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.055 0.455 . . . . 1.0 111.275 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HA3' ' A' ' 21' ' ' GLY . 20.3 m -66.32 173.08 3.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.505 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.904 ' CB ' HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -78.57 60.56 2.71 Favored 'General case' 0 N--CA 1.423 -1.783 0 CA-C-O 121.14 0.495 . . . . 1.0 110.408 -179.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.37 -4.56 76.88 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.444 -0.884 . . . . 1.0 111.495 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 1.3 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.215 -0.898 . . . . 1.0 110.774 179.904 . . . . . . . . 1 1 . 1 stop_ save_