data_2lix_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 2lix _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 ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.865 0.691 . . . . 99.989999999999995 112.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 159.3 15.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.711 0.687 . . . . 99.989999999999995 110.756 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.23 -32.59 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 122.707 0.403 . . . . 99.989999999999995 111.637 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.37 5.46 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.03 0.932 . . . . 99.989999999999995 110.803 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.96 -44.79 87.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.817 0.673 . . . . 99.989999999999995 112.817 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.68 -39.83 62.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.208 1.403 . . . . 99.989999999999995 111.628 175.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.52 -9.31 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 99.989999999999995 111.857 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 m -138.49 28.55 2.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.617 1.567 . . . . 99.989999999999995 111.407 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.0 m -50.44 -29.72 10.93 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.046 0.839 . . . . 99.989999999999995 112.538 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.89 -31.03 66.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.265 0.626 . . . . 99.989999999999995 112.181 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -72.16 137.83 47.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.51 0.724 . . . . 99.989999999999995 109.91 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 p -46.24 -52.44 12.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.91 0.884 . . . . 99.989999999999995 112.159 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.3 38.18 0.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.472 1.109 . . . . 99.989999999999995 110.881 176.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.371 0.0 OUTLIER 49.76 -172.84 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.651 1.58 . . . . 99.989999999999995 114.343 -172.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -56.17 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.58 -1.325 . . . . 99.989999999999995 110.855 -176.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.56 -54.64 4.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.152 0.581 . . . . 99.989999999999995 111.199 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.5 -17.53 0.02 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.355 0.902 . . . . 99.989999999999995 115.355 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -156.89 -35.39 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.425 1.112 . . . . 99.989999999999995 110.838 168.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.4 t -170.7 150.94 3.38 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.067 0.947 . . . . 99.989999999999995 109.107 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.78 145.37 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.666 0.666 . . . . 99.989999999999995 109.565 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 52.47 28.82 6.29 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.216 1.008 . . . . 99.989999999999995 113.32 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.58 59.78 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 117.854 -1.526 . . . . 99.989999999999995 113.538 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -132.68 128.9 37.99 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.717 1.607 . . . . 99.989999999999995 109.717 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 118.75 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.108 -0.995 . . . . 99.989999999999995 110.344 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -146.97 132.83 19.04 Favored 'General case' 0 C--O 1.215 -0.716 0 C-N-CA 123.629 0.771 . . . . 99.989999999999995 111.234 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.6 133.61 43.53 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 118.298 -0.858 . . . . 99.989999999999995 110.116 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 C--O 1.248 1.025 0 O-C-N 124.278 0.986 . . . . 99.989999999999995 112.427 175.298 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.742 0.645 . . . . 99.989999999999995 112.742 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.34 116.79 23.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.669 1.188 . . . . 99.989999999999995 109.388 -176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.1 -34.47 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.771 -0.581 . . . . 99.989999999999995 110.641 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.06 179.72 7.76 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.136 0.975 . . . . 99.989999999999995 110.899 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -63.71 -44.51 93.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.269 1.028 . . . . 99.989999999999995 112.518 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.55 -31.45 62.15 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.789 0.835 . . . . 99.989999999999995 111.909 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.91 -23.68 33.01 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.46 0.704 . . . . 99.989999999999995 111.934 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 m -133.13 32.12 3.76 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.3 1.04 . . . . 99.989999999999995 110.866 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.1 m -46.87 -30.82 2.7 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.391 1.076 . . . . 99.989999999999995 112.519 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -29.19 63.9 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.374 0.879 . . . . 99.989999999999995 113.374 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.0 mt -75.31 143.08 43.12 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.863 0.865 . . . . 99.989999999999995 109.49 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.5 p -47.02 -49.75 20.52 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.32 0.648 . . . . 99.989999999999995 112.275 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -156.94 14.09 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.019 1.328 . . . . 99.989999999999995 113.183 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.381 1.4 p30 45.65 -161.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.842 1.257 . . . . 99.989999999999995 112.067 -166.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 m -144.21 136.25 26.3 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.24 -0.913 . . . . 99.989999999999995 109.47 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm 49.46 84.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.032 1.733 . . . . 99.989999999999995 112.697 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.81 -86.52 0.1 OUTLIER Glycine 0 CA--C 1.525 0.662 0 CA-C-O 118.706 -1.052 . . . . 99.989999999999995 112.575 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 -34.06 6.23 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 125.033 1.078 . . . . 99.989999999999995 111.62 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 p 175.81 177.09 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.301 1.441 . . . . 99.989999999999995 111.778 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -122.75 141.84 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.323 1.049 . . . . 99.989999999999995 109.353 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.21 18.85 3.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.511 0.724 . . . . 99.989999999999995 112.897 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.54 79.16 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 117.103 -1.943 . . . . 99.989999999999995 113.451 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -110.0 124.26 51.13 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.157 1.783 . . . . 99.989999999999995 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.7 133.93 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.742 -0.663 . . . . 99.989999999999995 111.326 175.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -148.78 150.84 33.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.005 -0.998 . . . . 99.989999999999995 109.758 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t -105.18 141.87 35.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.985 0.914 . . . . 99.989999999999995 109.31 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 C--O 1.253 1.255 0 O-C-N 125.166 1.541 . . . . 99.989999999999995 111.698 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.795 0.665 . . . . 99.989999999999995 112.795 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 155.91 17.97 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.814 0.734 . . . . 99.989999999999995 110.555 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.08 -32.69 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 123.535 0.522 . . . . 99.989999999999995 110.628 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.25 176.39 5.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.89 0.876 . . . . 99.989999999999995 110.458 -176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -53.26 -40.64 64.79 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.733 0.642 . . . . 99.989999999999995 112.733 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.88 -42.16 71.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.571 1.148 . . . . 99.989999999999995 111.639 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.03 -2.89 19.99 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.576 0.75 . . . . 99.989999999999995 111.864 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.82 27.5 8.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.36 1.864 . . . . 99.989999999999995 110.274 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -54.75 -38.54 67.3 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.412 1.006 . . . . 99.989999999999995 113.663 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -26.69 68.06 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.56 -0.713 . . . . 99.989999999999995 111.724 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -88.14 131.81 34.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.362 1.077 . . . . 99.989999999999995 109.105 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.7 p -49.12 -47.94 44.98 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.305 -0.861 . . . . 99.989999999999995 112.358 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 22.86 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.15 0.98 . . . . 99.989999999999995 112.067 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.52 171.16 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.387 1.089 . . . . 99.989999999999995 111.923 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -7.43 59.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.414 -1.429 . . . . 99.989999999999995 110.878 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.22 -58.55 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.036 0.934 . . . . 99.989999999999995 113.111 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.78 -41.46 0.08 OUTLIER Glycine 0 N--CA 1.461 0.341 0 N-CA-C 116.844 1.498 . . . . 99.989999999999995 116.844 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -133.2 -39.28 0.93 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.137 0.969 . . . . 99.989999999999995 111.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -175.16 151.29 1.27 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.834 1.254 . . . . 99.989999999999995 108.39 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.15 144.54 25.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.391 -0.596 . . . . 99.989999999999995 109.391 173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 54.98 20.19 3.06 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.753 1.02 . . . . 99.989999999999995 113.753 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.31 17.24 74.06 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-O 117.9 -1.5 . . . . 99.989999999999995 112.755 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -146.13 122.14 10.72 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.509 1.654 . . . . 99.989999999999995 112.721 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 133.52 38.22 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.259 -0.428 . . . . 99.989999999999995 112.003 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -148.96 130.74 15.09 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.554 0.742 . . . . 99.989999999999995 110.141 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.23 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 118.286 -0.864 . . . . 99.989999999999995 110.386 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 C--O 1.255 1.361 0 CA-C-O 115.445 -2.217 . . . . 99.989999999999995 115.653 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.356 0.502 . . . . 99.989999999999995 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.41 104.01 7.94 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.169 -1.789 . . . . 99.989999999999995 106.169 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.16 -37.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.497 -0.287 . . . . 99.989999999999995 111.024 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -177.93 5.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.316 1.046 . . . . 99.989999999999995 111.198 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -61.89 -42.17 98.76 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.722 0.809 . . . . 99.989999999999995 111.931 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.29 -29.99 70.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.638 0.775 . . . . 99.989999999999995 111.859 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.43 -6.57 19.9 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.701 0.63 . . . . 99.989999999999995 112.701 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 m -115.15 20.3 15.07 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.553 1.541 . . . . 99.989999999999995 111.042 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -58.24 -32.27 68.19 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.853 0.751 . . . . 99.989999999999995 112.987 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.75 -26.14 67.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.29 0.636 . . . . 99.989999999999995 111.591 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.53 138.21 31.9 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.8 0.809 . . . . 99.989999999999995 109.594 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 p -46.92 -49.3 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.305 1.042 . . . . 99.989999999999995 112.627 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -155.54 15.86 0.38 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.195 1.398 . . . . 99.989999999999995 111.836 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.51 3.9 p30 32.48 -149.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.729 1.612 . . . . 99.989999999999995 114.968 -162.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -91.49 -69.44 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.361 -0.837 . . . . 99.989999999999995 111.117 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.1 mt -133.35 84.43 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.635 0.731 . . . . 99.989999999999995 109.224 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.87 -87.9 0.01 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.435 1.017 . . . . 99.989999999999995 114.883 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -67.71 -62.66 1.31 Allowed 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.961 -1.317 . . . . 99.989999999999995 109.801 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 t 178.12 173.05 0.64 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.208 1.403 . . . . 99.989999999999995 111.216 -175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -142.54 142.38 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.691 0.796 . . . . 99.989999999999995 109.904 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 47.58 32.29 2.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.629 1.204 . . . . 99.989999999999995 112.585 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 25.62 65.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.505 -1.164 . . . . 99.989999999999995 113.473 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -142.07 126.73 17.97 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.325 1.562 . . . . 99.989999999999995 110.465 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.89 131.23 39.51 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.391 -0.818 . . . . 99.989999999999995 110.307 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.01 130.88 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.146 0.978 . . . . 99.989999999999995 109.446 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 t -72.69 141.75 48.23 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.139 -0.934 . . . . 99.989999999999995 109.957 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 C--O 1.249 1.041 0 N-CA-C 113.037 0.754 . . . . 99.989999999999995 113.037 176.292 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.61 0.596 . . . . 99.989999999999995 112.61 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 113.23 25.29 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.641 -1.244 . . . . 99.989999999999995 107.641 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -70.76 -38.63 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.473 0.578 . . . . 99.989999999999995 110.449 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.33 179.41 9.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.826 0.85 . . . . 99.989999999999995 111.415 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -61.26 -36.61 80.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.964 0.905 . . . . 99.989999999999995 112.404 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.42 -28.58 63.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.537 1.135 . . . . 99.989999999999995 110.771 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.67 -25.62 40.47 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.775 -1.203 . . . . 99.989999999999995 112.214 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 m -121.09 30.13 6.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.238 1.015 . . . . 99.989999999999995 111.005 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -50.72 -32.16 18.69 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.744 0.818 . . . . 99.989999999999995 112.64 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -30.05 70.14 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.976 0.732 . . . . 99.989999999999995 112.976 178.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.54 140.64 37.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.85 -0.796 . . . . 99.989999999999995 108.85 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.4 p -42.84 -48.75 5.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.394 1.078 . . . . 99.989999999999995 113.181 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -153.9 16.94 0.5 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.772 1.229 . . . . 99.989999999999995 112.055 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.328 2.3 p30 40.78 -157.98 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.527 1.131 . . . . 99.989999999999995 113.245 -169.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.6 111.89 22.42 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.663 -0.648 . . . . 99.989999999999995 109.801 -172.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm 64.07 -56.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.84 2.056 . . . . 99.989999999999995 114.386 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.16 -23.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 119.234 0.925 . . . . 99.989999999999995 114.697 174.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -133.33 -54.96 0.91 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.543 0.737 . . . . 99.989999999999995 111.539 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t 179.92 146.7 0.24 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.149 1.379 . . . . 99.989999999999995 108.783 -170.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -137.26 141.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.426 0.557 . . . . 99.989999999999995 109.637 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 48.47 34.85 5.16 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 123.032 1.396 . . . . 99.989999999999995 113.622 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 21.3 63.53 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-O 118.049 -1.417 . . . . 99.989999999999995 112.971 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -141.61 127.06 18.81 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.232 1.516 . . . . 99.989999999999995 111.426 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 132.45 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.315 -0.857 . . . . 99.989999999999995 110.889 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -151.6 126.21 9.53 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.714 0.406 . . . . 99.989999999999995 111.418 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 t -62.56 143.51 57.15 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.45 -0.786 . . . . 99.989999999999995 109.601 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.257 1.451 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 111.948 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.653 0.983 . . . . 99.989999999999995 113.653 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 112.81 26.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.425 1.011 . . . . 99.989999999999995 109.556 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.37 -39.14 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.082 0.401 . . . . 99.989999999999995 110.656 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.65 -179.09 7.83 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.056 0.942 . . . . 99.989999999999995 111.058 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.54 -43.93 89.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.513 1.149 . . . . 99.989999999999995 111.489 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.65 -33.63 73.08 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.273 1.429 . . . . 99.989999999999995 111.612 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.6 -8.65 21.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.592 0.59 . . . . 99.989999999999995 112.592 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.1 m -128.38 24.66 5.85 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.268 1.427 . . . . 99.989999999999995 111.129 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -49.39 -33.48 13.89 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.082 0.953 . . . . 99.989999999999995 112.771 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -34.23 69.95 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.624 -0.672 . . . . 99.989999999999995 112.386 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 mt -76.21 141.13 41.88 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.793 0.837 . . . . 99.989999999999995 109.671 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -46.23 -45.21 16.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.508 0.929 . . . . 99.989999999999995 113.508 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -152.52 8.34 0.45 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.68 1.192 . . . . 99.989999999999995 112.312 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.307 2.9 p30 42.74 -162.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.231 1.412 . . . . 99.989999999999995 112.61 -165.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 115.64 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.387 -0.821 . . . . 99.989999999999995 110.278 -171.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm 65.7 -60.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.714 2.005 . . . . 99.989999999999995 113.206 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.11 -34.02 0.02 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 118.105 -1.386 . . . . 99.989999999999995 113.256 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -130.62 -50.61 1.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.047 0.923 . . . . 99.989999999999995 112.118 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -176.48 152.68 1.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.04 0.936 . . . . 99.989999999999995 109.275 -171.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.11 148.7 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 118.373 0.533 . . . . 99.989999999999995 109.901 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 50.05 29.27 3.41 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.366 0.876 . . . . 99.989999999999995 113.366 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.12 22.85 63.3 Favored Glycine 0 CA--C 1.526 0.767 0 O-C-N 120.678 -1.264 . . . . 99.989999999999995 113.342 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -142.6 125.72 16.36 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.012 1.406 . . . . 99.989999999999995 111.003 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.39 134.64 34.08 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.623 -0.673 . . . . 99.989999999999995 110.961 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -149.06 129.02 13.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.798 0.839 . . . . 99.989999999999995 110.903 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.71 141.95 56.47 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.024 -0.512 . . . . 99.989999999999995 110.073 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.088 -1.434 . . . . 99.989999999999995 112.854 176.146 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.849 0.685 . . . . 99.989999999999995 112.849 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 120.41 41.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.236 0.926 . . . . 99.989999999999995 109.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.0 t -87.33 -29.61 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.043 0.537 . . . . 99.989999999999995 110.727 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -178.11 5.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.774 1.23 . . . . 99.989999999999995 110.826 -174.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -67.04 -38.92 86.74 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.245 0.832 . . . . 99.989999999999995 113.245 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.02 -34.97 68.72 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.486 0.715 . . . . 99.989999999999995 111.504 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.35 -14.3 38.26 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.672 0.619 . . . . 99.989999999999995 112.672 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.6 m -117.87 29.22 7.95 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.648 1.579 . . . . 99.989999999999995 110.905 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.9 m -48.73 -42.1 34.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.719 0.808 . . . . 99.989999999999995 111.449 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.52 -35.08 79.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.866 0.867 . . . . 99.989999999999995 112.494 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.11 146.63 47.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.723 1.249 . . . . 99.989999999999995 110.316 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.7 m -72.35 -56.37 5.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.22 -0.9 . . . . 99.989999999999995 110.894 -175.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -151.24 23.69 0.73 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.274 1.03 . . . . 99.989999999999995 111.316 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 42.89 -153.86 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.293 1.037 . . . . 99.989999999999995 112.708 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -92.21 -43.85 9.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 117.548 -1.215 . . . . 99.989999999999995 113.498 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -115.8 -56.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 120.09 1.314 . . . . 99.989999999999995 111.065 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 13.4 0.03 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-O 118.747 -1.029 . . . . 99.989999999999995 113.855 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 p -163.59 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.961 1.304 . . . . 99.989999999999995 111.385 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -173.7 149.34 1.59 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.68 1.192 . . . . 99.989999999999995 109.872 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -143.1 143.48 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.16 0.584 . . . . 99.989999999999995 109.507 176.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 52.74 30.33 8.75 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.628 -1.295 . . . . 99.989999999999995 112.761 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 20.18 62.21 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.483 -1.176 . . . . 99.989999999999995 113.073 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -140.02 137.07 34.34 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.319 1.559 . . . . 99.989999999999995 109.661 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 138.85 31.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 120.429 -1.42 . . . . 99.989999999999995 109.388 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 26' ' ' CYS . 1.3 tmpt? -149.45 118.56 6.76 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 118.457 -0.782 . . . . 99.989999999999995 110.797 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -67.96 134.07 50.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 117.411 -1.281 . . . . 99.989999999999995 111.696 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp . . . . . 0 C--O 1.256 1.411 0 CA-C-O 114.716 -2.564 . . . . 99.989999999999995 113.623 178.361 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 99.989999999999995 112.772 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.84 114.07 24.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.215 0.916 . . . . 99.989999999999995 109.988 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -82.56 -29.0 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.088 0.555 . . . . 99.989999999999995 111.326 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -177.68 5.31 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.661 1.184 . . . . 99.989999999999995 110.69 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.99 89.67 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.946 0.721 . . . . 99.989999999999995 112.946 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.64 -34.82 67.67 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.774 0.83 . . . . 99.989999999999995 111.398 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.47 -9.41 25.49 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.929 0.492 . . . . 99.989999999999995 112.179 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.4 m -121.86 28.15 7.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.087 1.755 . . . . 99.989999999999995 110.925 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 m -52.08 -33.99 41.77 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 99.989999999999995 112.672 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -33.84 74.58 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.891 0.477 . . . . 99.989999999999995 112.15 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.34 136.58 39.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 122.408 1.099 . . . . 99.989999999999995 110.646 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -56.51 20.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.745 -1.116 . . . . 99.989999999999995 111.813 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -155.66 28.39 0.38 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 117.962 -1.018 . . . . 99.989999999999995 110.867 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 41.72 -161.73 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.204 1.402 . . . . 99.989999999999995 113.48 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -78.06 -67.82 0.69 Allowed 'General case' 0 C--N 1.333 -0.139 0 O-C-N 120.546 -1.346 . . . . 99.989999999999995 110.74 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.17 -76.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.235 0.925 . . . . 99.989999999999995 108.557 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.32 17.44 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 CA-C-O 118.188 -1.34 . . . . 99.989999999999995 113.953 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -163.44 -60.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.045 1.338 . . . . 99.989999999999995 111.524 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -171.74 154.06 3.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.427 1.491 . . . . 99.989999999999995 109.035 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.76 144.47 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.661 -0.649 . . . . 99.989999999999995 109.387 172.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 51.46 24.37 2.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.901 0.857 . . . . 99.989999999999995 113.261 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.96 21.05 75.15 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.438 -1.201 . . . . 99.989999999999995 113.334 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -141.8 129.39 21.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.319 1.848 . . . . 99.989999999999995 110.664 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 137.54 32.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.495 -1.378 . . . . 99.989999999999995 110.256 177.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -149.11 118.65 6.95 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 118.654 -0.689 . . . . 99.989999999999995 109.908 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.07 141.19 57.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.074 -0.965 . . . . 99.989999999999995 110.798 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 ptt? . . . . . 0 C--O 1.256 1.428 0 N-CA-C 114.97 1.47 . . . . 99.989999999999995 114.97 176.582 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 118.374 -0.822 . . . . 99.989999999999995 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 114.06 20.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.295 0.952 . . . . 99.989999999999995 109.095 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -85.34 -27.82 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.308 0.643 . . . . 99.989999999999995 111.108 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 -176.89 5.95 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.412 1.085 . . . . 99.989999999999995 111.339 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -65.78 -45.7 81.48 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.163 0.985 . . . . 99.989999999999995 112.003 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.74 -29.86 68.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.635 0.374 . . . . 99.989999999999995 111.304 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -21.8 37.2 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.664 -0.647 . . . . 99.989999999999995 112.208 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.2 29.09 8.26 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 124.811 1.245 . . . . 99.989999999999995 110.81 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 m -54.58 -30.81 55.51 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.204 0.816 . . . . 99.989999999999995 113.204 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.77 -31.44 68.22 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.082 -1.011 . . . . 99.989999999999995 111.636 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.19 139.68 35.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.27 1.033 . . . . 99.989999999999995 110.551 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -50.17 47.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 99.989999999999995 112.839 -173.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -144.48 6.26 1.26 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 118.19 -0.91 . . . . 99.989999999999995 112.383 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER 53.26 -176.65 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.014 0.926 . . . . 99.989999999999995 111.837 -172.183 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 49.7 p -61.55 -80.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.958 1.303 . . . . 99.989999999999995 112.207 173.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.2 -74.19 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 119.995 -1.691 . . . . 99.989999999999995 110.107 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.14 -29.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.075 -0.847 . . . . 99.989999999999995 114.307 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 p -118.47 -55.29 2.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 117.96 0.88 . . . . 99.989999999999995 111.541 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -173.23 154.71 2.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.303 1.041 . . . . 99.989999999999995 108.798 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.56 147.61 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.624 0.647 . . . . 99.989999999999995 110.111 169.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.67 16.7 2.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.854 1.057 . . . . 99.989999999999995 113.854 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.73 23.96 76.54 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.043 -0.865 . . . . 99.989999999999995 112.562 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -148.53 116.59 6.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.416 1.608 . . . . 99.989999999999995 110.644 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.16 143.36 41.21 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.609 -1.307 . . . . 99.989999999999995 111.453 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -151.03 122.91 8.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.986 0.514 . . . . 99.989999999999995 110.475 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.4 140.66 52.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.903 -0.57 . . . . 99.989999999999995 110.774 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 O-C-N 125.232 1.583 . . . . 99.989999999999995 111.337 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 113.011 0.745 . . . . 99.989999999999995 113.011 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 119.13 38.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.469 1.031 . . . . 99.989999999999995 108.919 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.48 -41.67 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 109.984 -0.376 . . . . 99.989999999999995 109.984 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -159.23 -176.48 5.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.224 1.409 . . . . 99.989999999999995 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -59.17 -36.2 74.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.942 0.897 . . . . 99.989999999999995 112.346 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.74 -37.07 72.97 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.856 1.663 . . . . 99.989999999999995 111.306 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.91 -6.9 30.2 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.883 0.697 . . . . 99.989999999999995 112.883 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 m -119.64 28.6 8.06 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.453 1.501 . . . . 99.989999999999995 110.664 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -51.95 -33.68 38.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.505 0.593 . . . . 99.989999999999995 112.539 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.91 -32.51 67.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.702 0.63 . . . . 99.989999999999995 112.702 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.47 134.97 48.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 122.136 0.969 . . . . 99.989999999999995 109.428 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.3 -55.67 30.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.957 -1.019 . . . . 99.989999999999995 112.482 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -143.89 0.2 1.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.457 1.103 . . . . 99.989999999999995 111.951 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.97 158.99 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.23 1.412 . . . . 99.989999999999995 112.806 -167.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -63.57 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 126.398 1.879 . . . . 99.989999999999995 115.294 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.68 -78.57 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.01 -1.478 . . . . 99.989999999999995 107.01 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.19 -66.24 0.03 OUTLIER Glycine 0 CA--C 1.522 0.481 0 O-C-N 120.277 -1.514 . . . . 99.989999999999995 113.191 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -100.95 -42.09 6.55 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.357 1.063 . . . . 99.989999999999995 111.734 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -173.72 155.74 2.74 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.434 1.494 . . . . 99.989999999999995 108.54 -171.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -144.06 146.14 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.186 -0.672 . . . . 99.989999999999995 109.186 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.14 19.13 4.57 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.318 -0.864 . . . . 99.989999999999995 113.202 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.07 13.45 72.83 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.216 -1.325 . . . . 99.989999999999995 113.246 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -143.82 122.41 12.51 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.557 1.678 . . . . 99.989999999999995 111.681 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 140.12 48.67 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.816 -0.552 . . . . 99.989999999999995 111.223 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -145.9 138.78 25.81 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 122.716 0.406 . . . . 99.989999999999995 111.36 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -89.06 144.66 25.99 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.25 0.62 . . . . 99.989999999999995 110.865 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 C--O 1.268 2.041 0 C-N-CA 126.344 1.857 . . . . 99.989999999999995 111.063 176.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.061 0.763 . . . . 99.989999999999995 113.061 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.06 105.7 5.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 105.866 -1.902 . . . . 99.989999999999995 105.866 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.61 -30.64 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.407 -0.806 . . . . 99.989999999999995 110.234 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.54 -179.38 7.28 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.957 0.903 . . . . 99.989999999999995 111.563 -174.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -62.81 -40.73 98.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.331 0.652 . . . . 99.989999999999995 111.688 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -20.73 62.05 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.718 0.636 . . . . 99.989999999999995 112.718 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.88 -26.9 62.73 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.777 -1.202 . . . . 99.989999999999995 111.275 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.13 36.35 3.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 123.405 0.682 . . . . 99.989999999999995 109.944 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -52.3 -35.29 50.14 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.627 0.649 . . . . 99.989999999999995 112.16 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.47 -35.51 81.11 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.562 -0.711 . . . . 99.989999999999995 112.293 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.91 129.07 34.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.098 0.475 . . . . 99.989999999999995 110.436 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -46.8 -54.44 9.82 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.432 1.493 . . . . 99.989999999999995 113.733 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -149.11 7.51 0.71 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.848 1.259 . . . . 99.989999999999995 111.613 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.69 -162.58 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.754 0.659 . . . . 99.989999999999995 111.31 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -133.11 148.37 52.14 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.466 -0.568 . . . . 99.989999999999995 109.466 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.1 mm 46.21 79.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.13 1.772 . . . . 99.989999999999995 112.68 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.16 -94.24 0.1 OUTLIER Glycine 0 CA--C 1.524 0.642 0 CA-C-N 115.06 -0.973 . . . . 99.989999999999995 112.574 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -89.36 -47.82 7.76 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.952 0.901 . . . . 99.989999999999995 110.345 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -171.39 166.9 6.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.98 0.912 . . . . 99.989999999999995 111.225 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.91 138.12 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.566 -0.709 . . . . 99.989999999999995 110.65 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.78 35.25 1.4 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.553 1.168 . . . . 99.989999999999995 112.558 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 28.37 73.72 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-O 118.199 -1.334 . . . . 99.989999999999995 113.621 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.47 130.13 21.48 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.909 1.855 . . . . 99.989999999999995 111.73 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 m -91.28 140.05 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 99.989999999999995 110.645 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -152.28 125.65 8.76 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 122.772 0.429 . . . . 99.989999999999995 110.103 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.07 143.0 57.6 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.841 0.456 . . . . 99.989999999999995 110.386 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 C--O 1.241 0.649 0 C-N-CA 124.012 0.925 . . . . 99.989999999999995 112.23 175.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.466 0.543 . . . . 99.989999999999995 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -138.57 104.33 5.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.007 1.323 . . . . 99.989999999999995 108.588 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.0 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 118.265 -0.874 . . . . 99.989999999999995 111.904 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -69.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.664 0.786 . . . . 99.989999999999995 111.749 175.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -148.73 -43.51 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.787 0.835 . . . . 99.989999999999995 111.263 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.93 -30.74 64.27 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.356 0.662 . . . . 99.989999999999995 111.459 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.01 -13.68 28.19 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.748 0.647 . . . . 99.989999999999995 112.748 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -114.38 27.77 9.23 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.501 1.52 . . . . 99.989999999999995 110.325 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.4 m -56.07 -55.14 36.52 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.779 -1.201 . . . . 99.989999999999995 110.728 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.16 -28.17 69.87 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 124.077 0.86 . . . . 99.989999999999995 113.097 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.88 136.09 57.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.731 -0.47 . . . . 99.989999999999995 109.731 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.16 -50.96 14.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.885 0.874 . . . . 99.989999999999995 112.036 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -160.39 19.2 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.448 1.099 . . . . 99.989999999999995 111.841 -175.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.268 1.3 p-10 44.01 -156.9 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.644 0.778 . . . . 99.989999999999995 112.696 -170.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.6 -60.87 1.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.469 0.708 . . . . 99.989999999999995 111.934 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -133.81 70.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.916 0.865 . . . . 99.989999999999995 109.521 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.86 -77.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.981 1.553 . . . . 99.989999999999995 116.981 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 p -76.69 -64.97 1.0 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 119.709 -2.054 . . . . 99.989999999999995 108.946 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 t 179.53 172.24 0.94 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.072 0.949 . . . . 99.989999999999995 111.461 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.65 138.65 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.845 0.858 . . . . 99.989999999999995 109.979 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.329 47.5 m-20 43.52 40.55 2.86 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.966 1.365 . . . . 99.989999999999995 113.507 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.3 17.82 53.71 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 114.976 -1.011 . . . . 99.989999999999995 113.091 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -143.45 124.18 14.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.612 1.706 . . . . 99.989999999999995 111.068 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 142.3 32.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.541 -0.754 . . . . 99.989999999999995 110.946 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -142.33 129.03 20.4 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.478 0.711 . . . . 99.989999999999995 111.271 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.34 146.17 36.88 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.833 -0.432 . . . . 99.989999999999995 109.833 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.826 -1.559 . . . . 99.989999999999995 112.413 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.859 0.689 . . . . 99.989999999999995 112.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.57 114.47 27.51 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.084 -1.08 . . . . 99.989999999999995 108.084 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.42 -38.38 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.551 0.614 . . . . 99.989999999999995 110.45 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 177.93 8.35 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.242 1.417 . . . . 99.989999999999995 111.449 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.18 -39.3 94.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.139 0.976 . . . . 99.989999999999995 112.079 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.68 -22.99 66.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.57 0.748 . . . . 99.989999999999995 111.301 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -25.52 63.88 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.248 -1.532 . . . . 99.989999999999995 110.969 173.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.256 86.5 m -115.65 37.65 3.53 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.919 0.887 . . . . 99.989999999999995 109.822 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -32.55 14.73 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.906 0.883 . . . . 99.989999999999995 112.676 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.21 -35.5 63.92 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.902 -0.499 . . . . 99.989999999999995 112.07 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.33 135.72 49.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.462 0.649 . . . . 99.989999999999995 109.649 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -50.45 -55.23 16.78 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.225 -0.898 . . . . 99.989999999999995 112.912 -174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -147.02 6.78 0.89 Allowed 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.193 0.997 . . . . 99.989999999999995 112.473 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 45.4 -160.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.8 1.24 . . . . 99.989999999999995 111.982 -169.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -146.13 147.02 31.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 121.202 -0.936 . . . . 99.989999999999995 110.817 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.8 mm 52.23 78.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.563 1.145 . . . . 99.989999999999995 111.894 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.61 -91.57 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-O 118.922 -0.932 . . . . 99.989999999999995 112.002 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.1 m -97.99 -44.22 6.75 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.704 1.202 . . . . 99.989999999999995 111.719 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 p -176.51 170.23 2.51 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.824 1.25 . . . . 99.989999999999995 111.351 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 p -123.48 150.34 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.734 -0.469 . . . . 99.989999999999995 109.734 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.0 27.48 13.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.32 -0.863 . . . . 99.989999999999995 112.752 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.13 15.65 65.58 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-O 117.122 -1.932 . . . . 99.989999999999995 113.197 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -141.12 123.53 15.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.334 1.454 . . . . 99.989999999999995 111.503 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.17 146.92 53.44 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 120.733 -1.229 . . . . 99.989999999999995 112.064 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -149.67 121.41 8.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.206 0.602 . . . . 99.989999999999995 111.074 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 t -66.02 139.33 58.2 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.442 0.697 . . . . 99.989999999999995 111.21 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.968 1.707 . . . . 99.989999999999995 111.688 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.01 -0.995 . . . . 99.989999999999995 111.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.91 118.41 20.19 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.192 0.997 . . . . 99.989999999999995 111.617 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.04 -37.63 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.956 -0.545 . . . . 99.989999999999995 110.718 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -163.05 -179.81 6.98 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.023 1.329 . . . . 99.989999999999995 111.079 -171.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -65.59 -39.45 91.6 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.011 0.924 . . . . 99.989999999999995 112.276 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -57.59 -32.63 67.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.458 0.703 . . . . 99.989999999999995 111.339 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -20.05 55.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.873 0.869 . . . . 99.989999999999995 111.93 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 38.8 m -108.77 20.81 18.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.917 1.287 . . . . 99.989999999999995 112.777 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -59.22 -34.91 72.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.094 0.776 . . . . 99.989999999999995 113.094 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.96 -21.17 63.23 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.959 -0.463 . . . . 99.989999999999995 111.788 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.69 138.39 31.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.669 0.788 . . . . 99.989999999999995 109.065 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 p -42.97 -51.04 5.77 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.623 1.169 . . . . 99.989999999999995 112.826 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.75 14.19 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.97 1.308 . . . . 99.989999999999995 112.752 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.305 6.6 t70 54.5 155.64 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.802 2.041 . . . . 99.989999999999995 114.904 -169.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -85.0 -25.94 27.39 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.088 -1.633 . . . . 99.989999999999995 112.258 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.65 88.1 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.269 0.941 . . . . 99.989999999999995 109.895 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.2 -99.28 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.854 -0.97 . . . . 99.989999999999995 112.115 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 m -90.54 -44.55 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 117.779 0.79 . . . . 99.989999999999995 111.773 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.02 161.07 36.54 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.745 1.218 . . . . 99.989999999999995 112.463 -172.791 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -107.62 115.74 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.21 1.004 . . . . 99.989999999999995 110.442 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 52.06 27.93 4.91 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.72 1.248 . . . . 99.989999999999995 112.924 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.16 66.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 118.312 -1.271 . . . . 99.989999999999995 113.475 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -132.29 129.08 39.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.428 1.614 . . . . 99.989999999999995 110.747 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -67.63 125.18 25.38 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.761 -0.587 . . . . 99.989999999999995 109.802 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -150.24 139.99 21.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.151 0.432 . . . . 99.989999999999995 110.656 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -98.95 145.64 26.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 117.494 -1.241 . . . . 99.989999999999995 109.529 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 C--O 1.254 1.294 0 CA-C-O 115.022 -2.418 . . . . 99.989999999999995 114.955 174.36 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.334 0.587 . . . . 99.989999999999995 112.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.39 147.03 52.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.371 2.268 . . . . 99.989999999999995 106.019 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 -37.67 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.277 0.49 . . . . 99.989999999999995 110.96 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -163.65 -177.81 5.41 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.217 1.007 . . . . 99.989999999999995 109.78 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -44.11 94.93 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.019 0.928 . . . . 99.989999999999995 112.77 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -51.8 -40.3 60.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.423 1.489 . . . . 99.989999999999995 111.392 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.2 -11.61 42.57 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.22 0.608 . . . . 99.989999999999995 112.251 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 m -136.91 30.51 2.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.091 1.356 . . . . 99.989999999999995 110.452 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -51.71 -27.91 13.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.011 0.924 . . . . 99.989999999999995 112.355 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -28.72 67.65 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.841 0.682 . . . . 99.989999999999995 112.841 177.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -76.63 137.63 39.59 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.014 0.926 . . . . 99.989999999999995 109.162 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 p -47.45 -48.41 26.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.765 0.826 . . . . 99.989999999999995 112.932 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -161.32 18.02 0.11 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.521 1.529 . . . . 99.989999999999995 111.815 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 60.17 170.09 0.08 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 123.145 1.45 . . . . 99.989999999999995 111.284 -169.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -26.34 65.75 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 125.999 1.719 . . . . 99.989999999999995 110.824 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mt -145.63 -60.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.561 0.744 . . . . 99.989999999999995 112.728 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.38 -26.76 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.259 -0.745 . . . . 99.989999999999995 114.589 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -136.64 -57.8 0.73 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 117.756 0.778 . . . . 99.989999999999995 110.27 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.2 t -177.81 159.83 1.44 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.453 1.101 . . . . 99.989999999999995 110.671 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.98 146.15 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 123.2 0.6 . . . . 99.989999999999995 110.344 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.307 75.0 m-20 50.42 32.53 6.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.744 1.259 . . . . 99.989999999999995 113.538 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.03 10.32 39.36 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.543 -1.699 . . . . 99.989999999999995 113.544 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -124.93 125.53 44.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 125.807 1.643 . . . . 99.989999999999995 110.174 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 119.8 30.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.687 -0.688 . . . . 99.989999999999995 110.208 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -147.83 135.06 20.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.014 1.325 . . . . 99.989999999999995 109.767 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.81 141.5 51.36 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.357 -0.84 . . . . 99.989999999999995 109.009 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 C--O 1.257 1.485 0 N-CA-C 112.985 0.735 . . . . 99.989999999999995 112.985 176.356 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.969 1.099 . . . . 99.989999999999995 113.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.43 108.4 10.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.54 -1.281 . . . . 99.989999999999995 107.54 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.92 -32.59 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 123.577 0.548 . . . . 99.989999999999995 110.822 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.02 179.1 7.19 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.657 0.783 . . . . 99.989999999999995 110.859 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -57.85 -39.36 77.53 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 99.989999999999995 111.672 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -64.49 -29.51 70.55 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.215 1.006 . . . . 99.989999999999995 112.489 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.11 -5.73 29.0 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.979 -1.076 . . . . 99.989999999999995 112.092 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.96 26.7 9.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 125.505 1.522 . . . . 99.989999999999995 109.973 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -54.18 -27.22 32.6 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.186 0.903 . . . . 99.989999999999995 112.847 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -29.71 49.78 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.287 -0.883 . . . . 99.989999999999995 113.08 174.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.54 143.54 48.28 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 122.452 1.12 . . . . 99.989999999999995 110.506 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -51.74 19.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 99.989999999999995 113.047 -172.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -140.6 8.02 2.15 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.708 0.803 . . . . 99.989999999999995 111.852 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.55 4.0 p30 25.79 -147.62 0.0 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 126.591 1.956 . . . . 99.989999999999995 114.901 -163.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 m -99.93 -60.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 118.85 0.75 . . . . 99.989999999999995 111.266 -168.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 mt -134.17 81.98 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.127 -0.694 . . . . 99.989999999999995 109.127 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.1 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.824 1.202 . . . . 99.989999999999995 114.633 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -67.42 -63.65 1.02 Allowed 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -1.206 . . . . 99.989999999999995 109.991 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t 177.36 167.33 0.62 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.373 1.469 . . . . 99.989999999999995 110.735 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.25 152.47 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.001 -0.741 . . . . 99.989999999999995 109.001 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 57.39 13.67 1.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.413 0.894 . . . . 99.989999999999995 113.413 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 23.58 69.93 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 117.586 -1.674 . . . . 99.989999999999995 113.193 -171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -141.17 128.61 21.23 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.741 1.771 . . . . 99.989999999999995 110.951 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.52 121.55 34.08 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.106 -0.331 . . . . 99.989999999999995 110.106 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -132.78 129.5 38.69 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.102 0.408 . . . . 99.989999999999995 112.102 176.398 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.98 141.7 45.86 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 125.131 1.519 . . . . 99.989999999999995 110.694 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 O-C-N 125.153 1.533 . . . . 99.989999999999995 112.05 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.453 -0.784 . . . . 99.989999999999995 113.006 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 116.18 26.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.879 1.218 . . . . 99.989999999999995 111.619 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -75.05 -34.55 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 119.163 -0.446 . . . . 99.989999999999995 111.562 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -176.26 1.52 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.928 0.891 . . . . 99.989999999999995 111.245 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -47.94 -40.23 21.52 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.694 1.198 . . . . 99.989999999999995 112.341 173.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.58 -38.52 78.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.218 1.407 . . . . 99.989999999999995 111.85 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.1 -17.89 64.85 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.891 -0.506 . . . . 99.989999999999995 111.681 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -117.71 31.69 6.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.272 1.429 . . . . 99.989999999999995 110.176 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 m -51.4 -43.2 61.87 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.349 -0.844 . . . . 99.989999999999995 110.443 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -65.4 -36.19 83.21 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.662 0.785 . . . . 99.989999999999995 113.077 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.15 139.76 52.47 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.936 0.398 . . . . 99.989999999999995 111.057 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -57.14 8.46 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.373 0.669 . . . . 99.989999999999995 112.008 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -146.89 19.93 1.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.663 0.785 . . . . 99.989999999999995 113.007 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.302 0.6 OUTLIER 45.32 -159.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.973 0.909 . . . . 99.989999999999995 112.196 -174.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -91.2 -51.0 5.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 118.631 -0.7 . . . . 99.989999999999995 112.592 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.49 -58.07 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 99.989999999999995 110.718 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.13 -13.8 0.02 OUTLIER Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.886 0.714 . . . . 99.989999999999995 114.886 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -140.69 -43.44 0.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.187 -1.184 . . . . 99.989999999999995 111.728 170.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -172.67 152.93 2.64 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.12 0.968 . . . . 99.989999999999995 108.579 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.46 149.32 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.784 -0.821 . . . . 99.989999999999995 108.784 171.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 55.23 18.87 2.64 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.337 0.866 . . . . 99.989999999999995 113.337 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.99 14.34 70.64 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.261 -1.299 . . . . 99.989999999999995 113.48 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -143.68 120.24 11.07 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.194 1.497 . . . . 99.989999999999995 111.241 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.43 142.87 48.65 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.217 -0.927 . . . . 99.989999999999995 111.572 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -150.88 120.86 7.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 118.537 -0.744 . . . . 99.989999999999995 110.061 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -73.08 137.83 45.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.485 -0.769 . . . . 99.989999999999995 111.097 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.3 ttm . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.828 -2.511 . . . . 99.989999999999995 113.314 -178.589 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.505 -0.759 . . . . 99.989999999999995 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.59 124.5 30.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.243 0.929 . . . . 99.989999999999995 110.012 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.47 -35.57 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.775 -0.454 . . . . 99.989999999999995 109.775 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -178.58 6.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.002 1.321 . . . . 99.989999999999995 110.942 -172.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.77 -37.72 88.42 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.183 0.993 . . . . 99.989999999999995 112.334 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.07 -30.8 69.46 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.287 0.635 . . . . 99.989999999999995 111.594 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.38 -11.18 49.99 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.45 0.537 . . . . 99.989999999999995 112.45 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.9 m -112.76 25.95 10.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.329 1.451 . . . . 99.989999999999995 111.109 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.6 m -52.93 -30.08 32.39 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.112 0.869 . . . . 99.989999999999995 112.357 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.31 -30.48 48.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.391 0.676 . . . . 99.989999999999995 112.599 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 141.32 58.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.406 1.098 . . . . 99.989999999999995 109.676 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.06 -58.28 5.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.085 -0.961 . . . . 99.989999999999995 110.977 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -149.78 16.9 0.88 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.109 0.963 . . . . 99.989999999999995 112.35 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.314 2.0 p30 43.68 -163.19 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.898 1.679 . . . . 99.989999999999995 111.859 -170.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -132.89 18.64 4.16 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.703 -1.248 . . . . 99.989999999999995 112.975 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.6 -48.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.4 0.68 . . . . 99.989999999999995 111.202 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.76 -17.32 0.65 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 124.44 1.019 . . . . 99.989999999999995 113.353 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -158.5 -38.12 0.06 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.085 0.554 . . . . 99.989999999999995 111.836 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -167.66 158.15 10.91 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.666 0.787 . . . . 99.989999999999995 109.459 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.69 132.34 14.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 118.078 0.399 . . . . 99.989999999999995 109.992 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.64 23.02 3.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.97 0.891 . . . . 99.989999999999995 112.948 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.56 5.59 89.36 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 118.377 -1.235 . . . . 99.989999999999995 113.58 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -140.0 124.38 17.95 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.733 1.767 . . . . 99.989999999999995 110.702 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 134.66 51.24 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 119.909 -1.744 . . . . 99.989999999999995 110.46 178.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -130.99 124.64 31.4 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 117.262 -1.351 . . . . 99.989999999999995 109.93 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -80.56 147.57 30.73 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.512 1.051 . . . . 99.989999999999995 109.4 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 C--O 1.259 1.575 0 CA-C-O 116.585 -1.674 . . . . 99.989999999999995 112.294 174.705 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 112.842 0.682 . . . . 99.989999999999995 112.842 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.0 118.08 35.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.26 0.936 . . . . 99.989999999999995 109.409 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.38 -29.45 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 122.707 0.403 . . . . 99.989999999999995 110.675 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.84 -178.0 6.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.062 1.345 . . . . 99.989999999999995 111.15 -172.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.53 -41.74 79.48 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.881 0.697 . . . . 99.989999999999995 112.881 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.18 -34.17 63.62 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.369 1.067 . . . . 99.989999999999995 111.19 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -62.43 -13.16 26.86 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.716 0.635 . . . . 99.989999999999995 112.716 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -118.68 33.37 5.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.324 1.049 . . . . 99.989999999999995 110.165 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 m -56.69 -32.61 65.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.199 0.6 . . . . 99.989999999999995 112.085 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.4 -30.69 68.71 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.454 -0.779 . . . . 99.989999999999995 112.205 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.88 137.08 33.01 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.719 0.771 . . . . 99.989999999999995 110.768 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -53.87 45.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.027 0.931 . . . . 99.989999999999995 113.465 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -139.29 5.26 2.27 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.187 0.995 . . . . 99.989999999999995 111.958 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.94 -164.92 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.313 1.008 . . . . 99.989999999999995 110.277 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -111.72 130.59 55.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.6 -0.889 . . . . 99.989999999999995 108.6 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mm 61.79 -64.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.453 1.901 . . . . 99.989999999999995 113.788 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.6 -51.8 0.03 OUTLIER Glycine 0 C--O 1.226 -0.39 0 CA-C-N 119.079 0.854 . . . . 99.989999999999995 114.307 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.7 p -105.15 -53.03 2.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 117.658 0.729 . . . . 99.989999999999995 111.341 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -173.3 152.71 2.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.415 1.086 . . . . 99.989999999999995 109.266 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -139.34 147.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 108.908 -0.775 . . . . 99.989999999999995 108.908 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 51.29 24.41 2.06 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.836 1.05 . . . . 99.989999999999995 113.836 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.18 65.53 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.397 -1.224 . . . . 99.989999999999995 112.831 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -143.75 123.63 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.52 1.66 . . . . 99.989999999999995 110.796 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.03 144.66 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.45 -0.781 . . . . 99.989999999999995 111.655 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -148.01 126.07 12.1 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.788 -0.625 . . . . 99.989999999999995 110.595 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.85 139.34 50.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 118.443 -0.789 . . . . 99.989999999999995 110.643 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.3 tmm? . . . . . 0 C--O 1.255 1.346 0 O-C-N 125.671 1.857 . . . . 99.989999999999995 111.33 179.422 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.151 0.797 . . . . 99.989999999999995 113.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.69 160.46 30.71 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.537 1.135 . . . . 99.989999999999995 108.365 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -117.38 -47.2 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 122.501 0.32 . . . . 99.989999999999995 110.771 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -159.88 -63.22 0.07 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.936 -0.478 . . . . 99.989999999999995 111.447 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -154.23 -43.87 0.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.948 0.499 . . . . 99.989999999999995 111.97 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.08 -33.5 69.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.154 0.582 . . . . 99.989999999999995 111.607 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.84 0.18 11.72 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.303 0.853 . . . . 99.989999999999995 113.303 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.1 m -130.81 29.44 4.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.928 1.691 . . . . 99.989999999999995 110.429 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -52.39 -28.22 18.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.005 0.821 . . . . 99.989999999999995 112.561 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -21.69 34.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 120.892 -1.13 . . . . 99.989999999999995 113.543 176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.07 131.96 40.93 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.188 -0.945 . . . . 99.989999999999995 109.736 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -56.37 23.08 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.482 -0.781 . . . . 99.989999999999995 113.018 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.37 18.2 0.74 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.257 0.623 . . . . 99.989999999999995 111.632 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 58.46 172.89 0.06 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 123.234 1.492 . . . . 99.989999999999995 111.991 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -61.35 -30.37 70.48 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 119.403 -2.061 . . . . 99.989999999999995 109.11 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.58 -60.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 112.997 0.74 . . . . 99.989999999999995 112.997 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.66 8.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-O 118.272 -1.293 . . . . 99.989999999999995 115.268 -175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.4 p -164.87 -53.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.672 1.236 . . . . 99.989999999999995 112.814 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 t -176.38 152.44 1.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.47 1.108 . . . . 99.989999999999995 109.634 -174.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.69 139.55 42.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.52 -0.548 . . . . 99.989999999999995 109.52 173.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 55.32 25.08 7.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.729 1.381 . . . . 99.989999999999995 114.729 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.35 72.33 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.403 -1.436 . . . . 99.989999999999995 111.991 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.03 124.29 12.25 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.375 1.87 . . . . 99.989999999999995 110.342 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 124.57 32.04 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 120.515 -1.366 . . . . 99.989999999999995 109.624 178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -138.36 137.17 37.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.301 0.641 . . . . 99.989999999999995 110.354 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.23 136.99 39.27 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.234 0.614 . . . . 99.989999999999995 109.996 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.1 mtm . . . . . 0 C--O 1.262 1.755 0 C-N-CA 127.323 2.249 . . . . 99.989999999999995 109.146 175.753 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.865 0.691 . . . . 99.989999999999995 112.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 159.3 15.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.711 0.687 . . . . 99.989999999999995 110.756 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.23 -32.59 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 122.707 0.403 . . . . 99.989999999999995 111.637 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.37 5.46 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.03 0.932 . . . . 99.989999999999995 110.803 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.96 -44.79 87.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.817 0.673 . . . . 99.989999999999995 112.817 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.68 -39.83 62.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.208 1.403 . . . . 99.989999999999995 111.628 175.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.52 -9.31 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 99.989999999999995 111.857 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 m -138.49 28.55 2.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.617 1.567 . . . . 99.989999999999995 111.407 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.0 m -50.44 -29.72 10.93 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.046 0.839 . . . . 99.989999999999995 112.538 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.89 -31.03 66.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.265 0.626 . . . . 99.989999999999995 112.181 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -72.16 137.83 47.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.51 0.724 . . . . 99.989999999999995 109.91 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 p -46.24 -52.44 12.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.91 0.884 . . . . 99.989999999999995 112.159 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.3 38.18 0.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.472 1.109 . . . . 99.989999999999995 110.881 176.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.371 0.0 OUTLIER 49.76 -172.84 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.651 1.58 . . . . 99.989999999999995 114.343 -172.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -56.17 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.58 -1.325 . . . . 99.989999999999995 110.855 -176.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.56 -54.64 4.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.152 0.581 . . . . 99.989999999999995 111.199 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.5 -17.53 0.02 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.355 0.902 . . . . 99.989999999999995 115.355 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -156.89 -35.39 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.425 1.112 . . . . 99.989999999999995 110.838 168.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.4 t -170.7 150.94 3.38 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.067 0.947 . . . . 99.989999999999995 109.107 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.78 145.37 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.666 0.666 . . . . 99.989999999999995 109.565 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 52.47 28.82 6.29 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.216 1.008 . . . . 99.989999999999995 113.32 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.58 59.78 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 117.854 -1.526 . . . . 99.989999999999995 113.538 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -132.68 128.9 37.99 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.717 1.607 . . . . 99.989999999999995 109.717 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 118.75 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.108 -0.995 . . . . 99.989999999999995 110.344 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -146.97 132.83 19.04 Favored 'General case' 0 C--O 1.215 -0.716 0 C-N-CA 123.629 0.771 . . . . 99.989999999999995 111.234 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.6 133.61 43.53 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 118.298 -0.858 . . . . 99.989999999999995 110.116 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 C--O 1.248 1.025 0 O-C-N 124.278 0.986 . . . . 99.989999999999995 112.427 175.298 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.742 0.645 . . . . 99.989999999999995 112.742 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.34 116.79 23.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.669 1.188 . . . . 99.989999999999995 109.388 -176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.1 -34.47 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.771 -0.581 . . . . 99.989999999999995 110.641 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.06 179.72 7.76 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.136 0.975 . . . . 99.989999999999995 110.899 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -63.71 -44.51 93.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.269 1.028 . . . . 99.989999999999995 112.518 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.55 -31.45 62.15 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.789 0.835 . . . . 99.989999999999995 111.909 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.91 -23.68 33.01 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.46 0.704 . . . . 99.989999999999995 111.934 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 m -133.13 32.12 3.76 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.3 1.04 . . . . 99.989999999999995 110.866 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.1 m -46.87 -30.82 2.7 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.391 1.076 . . . . 99.989999999999995 112.519 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.4 -29.19 63.9 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.374 0.879 . . . . 99.989999999999995 113.374 177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.0 mt -75.31 143.08 43.12 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.863 0.865 . . . . 99.989999999999995 109.49 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.5 p -47.02 -49.75 20.52 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.32 0.648 . . . . 99.989999999999995 112.275 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -156.94 14.09 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.019 1.328 . . . . 99.989999999999995 113.183 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.381 1.4 p30 45.65 -161.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.842 1.257 . . . . 99.989999999999995 112.067 -166.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 m -144.21 136.25 26.3 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.24 -0.913 . . . . 99.989999999999995 109.47 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm 49.46 84.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.032 1.733 . . . . 99.989999999999995 112.697 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.81 -86.52 0.1 OUTLIER Glycine 0 CA--C 1.525 0.662 0 CA-C-O 118.706 -1.052 . . . . 99.989999999999995 112.575 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 -34.06 6.23 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 125.033 1.078 . . . . 99.989999999999995 111.62 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 p 175.81 177.09 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.301 1.441 . . . . 99.989999999999995 111.778 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -122.75 141.84 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.323 1.049 . . . . 99.989999999999995 109.353 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.21 18.85 3.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.511 0.724 . . . . 99.989999999999995 112.897 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.54 79.16 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 117.103 -1.943 . . . . 99.989999999999995 113.451 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -110.0 124.26 51.13 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.157 1.783 . . . . 99.989999999999995 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.7 133.93 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.742 -0.663 . . . . 99.989999999999995 111.326 175.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -148.78 150.84 33.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.005 -0.998 . . . . 99.989999999999995 109.758 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t -105.18 141.87 35.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.985 0.914 . . . . 99.989999999999995 109.31 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 C--O 1.253 1.255 0 O-C-N 125.166 1.541 . . . . 99.989999999999995 111.698 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.795 0.665 . . . . 99.989999999999995 112.795 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 155.91 17.97 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.814 0.734 . . . . 99.989999999999995 110.555 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.08 -32.69 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 123.535 0.522 . . . . 99.989999999999995 110.628 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.25 176.39 5.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.89 0.876 . . . . 99.989999999999995 110.458 -176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -53.26 -40.64 64.79 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.733 0.642 . . . . 99.989999999999995 112.733 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.88 -42.16 71.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.571 1.148 . . . . 99.989999999999995 111.639 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.03 -2.89 19.99 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.576 0.75 . . . . 99.989999999999995 111.864 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.82 27.5 8.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.36 1.864 . . . . 99.989999999999995 110.274 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -54.75 -38.54 67.3 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.412 1.006 . . . . 99.989999999999995 113.663 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -26.69 68.06 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.56 -0.713 . . . . 99.989999999999995 111.724 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -88.14 131.81 34.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.362 1.077 . . . . 99.989999999999995 109.105 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.7 p -49.12 -47.94 44.98 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.305 -0.861 . . . . 99.989999999999995 112.358 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 22.86 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.15 0.98 . . . . 99.989999999999995 112.067 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.52 171.16 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.387 1.089 . . . . 99.989999999999995 111.923 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -7.43 59.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.414 -1.429 . . . . 99.989999999999995 110.878 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.22 -58.55 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.036 0.934 . . . . 99.989999999999995 113.111 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.78 -41.46 0.08 OUTLIER Glycine 0 N--CA 1.461 0.341 0 N-CA-C 116.844 1.498 . . . . 99.989999999999995 116.844 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -133.2 -39.28 0.93 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.137 0.969 . . . . 99.989999999999995 111.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -175.16 151.29 1.27 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.834 1.254 . . . . 99.989999999999995 108.39 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.15 144.54 25.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.391 -0.596 . . . . 99.989999999999995 109.391 173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 54.98 20.19 3.06 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.753 1.02 . . . . 99.989999999999995 113.753 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.31 17.24 74.06 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-O 117.9 -1.5 . . . . 99.989999999999995 112.755 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -146.13 122.14 10.72 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.509 1.654 . . . . 99.989999999999995 112.721 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 133.52 38.22 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.259 -0.428 . . . . 99.989999999999995 112.003 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -148.96 130.74 15.09 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.554 0.742 . . . . 99.989999999999995 110.141 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.3 t -86.23 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 118.286 -0.864 . . . . 99.989999999999995 110.386 176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 C--O 1.255 1.361 0 CA-C-O 115.445 -2.217 . . . . 99.989999999999995 115.653 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.356 0.502 . . . . 99.989999999999995 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.41 104.01 7.94 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.169 -1.789 . . . . 99.989999999999995 106.169 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.16 -37.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.497 -0.287 . . . . 99.989999999999995 111.024 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -177.93 5.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.316 1.046 . . . . 99.989999999999995 111.198 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -61.89 -42.17 98.76 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.722 0.809 . . . . 99.989999999999995 111.931 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.29 -29.99 70.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.638 0.775 . . . . 99.989999999999995 111.859 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.43 -6.57 19.9 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.701 0.63 . . . . 99.989999999999995 112.701 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 m -115.15 20.3 15.07 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.553 1.541 . . . . 99.989999999999995 111.042 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -58.24 -32.27 68.19 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.853 0.751 . . . . 99.989999999999995 112.987 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.75 -26.14 67.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.29 0.636 . . . . 99.989999999999995 111.591 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.53 138.21 31.9 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.8 0.809 . . . . 99.989999999999995 109.594 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 p -46.92 -49.3 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.305 1.042 . . . . 99.989999999999995 112.627 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -155.54 15.86 0.38 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.195 1.398 . . . . 99.989999999999995 111.836 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.51 3.9 p30 32.48 -149.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.729 1.612 . . . . 99.989999999999995 114.968 -162.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -91.49 -69.44 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.361 -0.837 . . . . 99.989999999999995 111.117 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.1 mt -133.35 84.43 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.635 0.731 . . . . 99.989999999999995 109.224 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.87 -87.9 0.01 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.435 1.017 . . . . 99.989999999999995 114.883 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -67.71 -62.66 1.31 Allowed 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.961 -1.317 . . . . 99.989999999999995 109.801 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 t 178.12 173.05 0.64 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.208 1.403 . . . . 99.989999999999995 111.216 -175.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -142.54 142.38 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.691 0.796 . . . . 99.989999999999995 109.904 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 47.58 32.29 2.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.629 1.204 . . . . 99.989999999999995 112.585 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 25.62 65.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.505 -1.164 . . . . 99.989999999999995 113.473 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -142.07 126.73 17.97 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.325 1.562 . . . . 99.989999999999995 110.465 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.89 131.23 39.51 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.391 -0.818 . . . . 99.989999999999995 110.307 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.01 130.88 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.146 0.978 . . . . 99.989999999999995 109.446 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 t -72.69 141.75 48.23 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.139 -0.934 . . . . 99.989999999999995 109.957 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 C--O 1.249 1.041 0 N-CA-C 113.037 0.754 . . . . 99.989999999999995 113.037 176.292 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.61 0.596 . . . . 99.989999999999995 112.61 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 113.23 25.29 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.641 -1.244 . . . . 99.989999999999995 107.641 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -70.76 -38.63 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.473 0.578 . . . . 99.989999999999995 110.449 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.33 179.41 9.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.826 0.85 . . . . 99.989999999999995 111.415 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -61.26 -36.61 80.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.964 0.905 . . . . 99.989999999999995 112.404 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.42 -28.58 63.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.537 1.135 . . . . 99.989999999999995 110.771 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.67 -25.62 40.47 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.775 -1.203 . . . . 99.989999999999995 112.214 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 m -121.09 30.13 6.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.238 1.015 . . . . 99.989999999999995 111.005 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -50.72 -32.16 18.69 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.744 0.818 . . . . 99.989999999999995 112.64 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.12 -30.05 70.14 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.976 0.732 . . . . 99.989999999999995 112.976 178.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.54 140.64 37.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.85 -0.796 . . . . 99.989999999999995 108.85 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.4 p -42.84 -48.75 5.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.394 1.078 . . . . 99.989999999999995 113.181 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -153.9 16.94 0.5 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.772 1.229 . . . . 99.989999999999995 112.055 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.328 2.3 p30 40.78 -157.98 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.527 1.131 . . . . 99.989999999999995 113.245 -169.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.6 111.89 22.42 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.663 -0.648 . . . . 99.989999999999995 109.801 -172.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm 64.07 -56.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.84 2.056 . . . . 99.989999999999995 114.386 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.16 -23.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 119.234 0.925 . . . . 99.989999999999995 114.697 174.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -133.33 -54.96 0.91 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.543 0.737 . . . . 99.989999999999995 111.539 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t 179.92 146.7 0.24 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.149 1.379 . . . . 99.989999999999995 108.783 -170.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -137.26 141.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.426 0.557 . . . . 99.989999999999995 109.637 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 48.47 34.85 5.16 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 123.032 1.396 . . . . 99.989999999999995 113.622 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 21.3 63.53 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-O 118.049 -1.417 . . . . 99.989999999999995 112.971 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -141.61 127.06 18.81 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.232 1.516 . . . . 99.989999999999995 111.426 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 132.45 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.315 -0.857 . . . . 99.989999999999995 110.889 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -151.6 126.21 9.53 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.714 0.406 . . . . 99.989999999999995 111.418 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 t -62.56 143.51 57.15 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.45 -0.786 . . . . 99.989999999999995 109.601 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.257 1.451 0 O-C-N 124.557 1.161 . . . . 99.989999999999995 111.948 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.653 0.983 . . . . 99.989999999999995 113.653 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 112.81 26.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.425 1.011 . . . . 99.989999999999995 109.556 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.37 -39.14 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.082 0.401 . . . . 99.989999999999995 110.656 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.65 -179.09 7.83 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.056 0.942 . . . . 99.989999999999995 111.058 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.54 -43.93 89.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.513 1.149 . . . . 99.989999999999995 111.489 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.65 -33.63 73.08 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.273 1.429 . . . . 99.989999999999995 111.612 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.6 -8.65 21.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.592 0.59 . . . . 99.989999999999995 112.592 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.1 m -128.38 24.66 5.85 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.268 1.427 . . . . 99.989999999999995 111.129 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -49.39 -33.48 13.89 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.082 0.953 . . . . 99.989999999999995 112.771 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.09 -34.23 69.95 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.624 -0.672 . . . . 99.989999999999995 112.386 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 mt -76.21 141.13 41.88 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.793 0.837 . . . . 99.989999999999995 109.671 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -46.23 -45.21 16.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.508 0.929 . . . . 99.989999999999995 113.508 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -152.52 8.34 0.45 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.68 1.192 . . . . 99.989999999999995 112.312 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.307 2.9 p30 42.74 -162.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.231 1.412 . . . . 99.989999999999995 112.61 -165.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 115.64 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.387 -0.821 . . . . 99.989999999999995 110.278 -171.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm 65.7 -60.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.714 2.005 . . . . 99.989999999999995 113.206 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.11 -34.02 0.02 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 118.105 -1.386 . . . . 99.989999999999995 113.256 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -130.62 -50.61 1.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.047 0.923 . . . . 99.989999999999995 112.118 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -176.48 152.68 1.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.04 0.936 . . . . 99.989999999999995 109.275 -171.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.11 148.7 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 118.373 0.533 . . . . 99.989999999999995 109.901 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 50.05 29.27 3.41 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.366 0.876 . . . . 99.989999999999995 113.366 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.12 22.85 63.3 Favored Glycine 0 CA--C 1.526 0.767 0 O-C-N 120.678 -1.264 . . . . 99.989999999999995 113.342 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -142.6 125.72 16.36 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.012 1.406 . . . . 99.989999999999995 111.003 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.39 134.64 34.08 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.623 -0.673 . . . . 99.989999999999995 110.961 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -149.06 129.02 13.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.798 0.839 . . . . 99.989999999999995 110.903 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.71 141.95 56.47 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.024 -0.512 . . . . 99.989999999999995 110.073 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.088 -1.434 . . . . 99.989999999999995 112.854 176.146 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.849 0.685 . . . . 99.989999999999995 112.849 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 120.41 41.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.236 0.926 . . . . 99.989999999999995 109.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.0 t -87.33 -29.61 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.043 0.537 . . . . 99.989999999999995 110.727 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -178.11 5.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.774 1.23 . . . . 99.989999999999995 110.826 -174.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -67.04 -38.92 86.74 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.245 0.832 . . . . 99.989999999999995 113.245 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.02 -34.97 68.72 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.486 0.715 . . . . 99.989999999999995 111.504 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.35 -14.3 38.26 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.672 0.619 . . . . 99.989999999999995 112.672 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.6 m -117.87 29.22 7.95 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.648 1.579 . . . . 99.989999999999995 110.905 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.9 m -48.73 -42.1 34.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.719 0.808 . . . . 99.989999999999995 111.449 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.52 -35.08 79.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.866 0.867 . . . . 99.989999999999995 112.494 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -72.11 146.63 47.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.723 1.249 . . . . 99.989999999999995 110.316 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.7 m -72.35 -56.37 5.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.22 -0.9 . . . . 99.989999999999995 110.894 -175.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -151.24 23.69 0.73 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.274 1.03 . . . . 99.989999999999995 111.316 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 42.89 -153.86 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.293 1.037 . . . . 99.989999999999995 112.708 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -92.21 -43.85 9.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 117.548 -1.215 . . . . 99.989999999999995 113.498 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -115.8 -56.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 120.09 1.314 . . . . 99.989999999999995 111.065 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 13.4 0.03 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-O 118.747 -1.029 . . . . 99.989999999999995 113.855 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 p -163.59 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.961 1.304 . . . . 99.989999999999995 111.385 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -173.7 149.34 1.59 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.68 1.192 . . . . 99.989999999999995 109.872 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -143.1 143.48 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.16 0.584 . . . . 99.989999999999995 109.507 176.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 52.74 30.33 8.75 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.628 -1.295 . . . . 99.989999999999995 112.761 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 20.18 62.21 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.483 -1.176 . . . . 99.989999999999995 113.073 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -140.02 137.07 34.34 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.319 1.559 . . . . 99.989999999999995 109.661 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 138.85 31.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 120.429 -1.42 . . . . 99.989999999999995 109.388 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 26' ' ' CYS . 1.3 tmpt? -149.45 118.56 6.76 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 118.457 -0.782 . . . . 99.989999999999995 110.797 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -67.96 134.07 50.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 117.411 -1.281 . . . . 99.989999999999995 111.696 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp . . . . . 0 C--O 1.256 1.411 0 CA-C-O 114.716 -2.564 . . . . 99.989999999999995 113.623 178.361 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 99.989999999999995 112.772 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.84 114.07 24.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.215 0.916 . . . . 99.989999999999995 109.988 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -82.56 -29.0 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.088 0.555 . . . . 99.989999999999995 111.326 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -177.68 5.31 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.661 1.184 . . . . 99.989999999999995 110.69 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.99 89.67 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.946 0.721 . . . . 99.989999999999995 112.946 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.64 -34.82 67.67 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.774 0.83 . . . . 99.989999999999995 111.398 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.47 -9.41 25.49 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.929 0.492 . . . . 99.989999999999995 112.179 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.4 m -121.86 28.15 7.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.087 1.755 . . . . 99.989999999999995 110.925 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 m -52.08 -33.99 41.77 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 99.989999999999995 112.672 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -33.84 74.58 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.891 0.477 . . . . 99.989999999999995 112.15 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.34 136.58 39.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 122.408 1.099 . . . . 99.989999999999995 110.646 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -56.51 20.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.745 -1.116 . . . . 99.989999999999995 111.813 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -155.66 28.39 0.38 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 117.962 -1.018 . . . . 99.989999999999995 110.867 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 41.72 -161.73 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.204 1.402 . . . . 99.989999999999995 113.48 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -78.06 -67.82 0.69 Allowed 'General case' 0 C--N 1.333 -0.139 0 O-C-N 120.546 -1.346 . . . . 99.989999999999995 110.74 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.17 -76.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.235 0.925 . . . . 99.989999999999995 108.557 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.32 17.44 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 CA-C-O 118.188 -1.34 . . . . 99.989999999999995 113.953 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -163.44 -60.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.045 1.338 . . . . 99.989999999999995 111.524 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -171.74 154.06 3.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.427 1.491 . . . . 99.989999999999995 109.035 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.76 144.47 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.661 -0.649 . . . . 99.989999999999995 109.387 172.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 51.46 24.37 2.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.901 0.857 . . . . 99.989999999999995 113.261 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.96 21.05 75.15 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.438 -1.201 . . . . 99.989999999999995 113.334 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -141.8 129.39 21.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.319 1.848 . . . . 99.989999999999995 110.664 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 137.54 32.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.495 -1.378 . . . . 99.989999999999995 110.256 177.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -149.11 118.65 6.95 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 118.654 -0.689 . . . . 99.989999999999995 109.908 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.07 141.19 57.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.074 -0.965 . . . . 99.989999999999995 110.798 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 ptt? . . . . . 0 C--O 1.256 1.428 0 N-CA-C 114.97 1.47 . . . . 99.989999999999995 114.97 176.582 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 118.374 -0.822 . . . . 99.989999999999995 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 114.06 20.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.295 0.952 . . . . 99.989999999999995 109.095 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -85.34 -27.82 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.308 0.643 . . . . 99.989999999999995 111.108 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 -176.89 5.95 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.412 1.085 . . . . 99.989999999999995 111.339 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -65.78 -45.7 81.48 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.163 0.985 . . . . 99.989999999999995 112.003 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.74 -29.86 68.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.635 0.374 . . . . 99.989999999999995 111.304 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -21.8 37.2 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.664 -0.647 . . . . 99.989999999999995 112.208 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.2 29.09 8.26 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 124.811 1.245 . . . . 99.989999999999995 110.81 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 m -54.58 -30.81 55.51 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.204 0.816 . . . . 99.989999999999995 113.204 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.77 -31.44 68.22 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.082 -1.011 . . . . 99.989999999999995 111.636 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.19 139.68 35.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.27 1.033 . . . . 99.989999999999995 110.551 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -50.17 47.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 99.989999999999995 112.839 -173.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -144.48 6.26 1.26 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 118.19 -0.91 . . . . 99.989999999999995 112.383 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER 53.26 -176.65 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.014 0.926 . . . . 99.989999999999995 111.837 -172.183 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 49.7 p -61.55 -80.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.958 1.303 . . . . 99.989999999999995 112.207 173.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.2 -74.19 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 119.995 -1.691 . . . . 99.989999999999995 110.107 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.14 -29.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.075 -0.847 . . . . 99.989999999999995 114.307 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 p -118.47 -55.29 2.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 117.96 0.88 . . . . 99.989999999999995 111.541 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -173.23 154.71 2.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.303 1.041 . . . . 99.989999999999995 108.798 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.56 147.61 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.624 0.647 . . . . 99.989999999999995 110.111 169.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.67 16.7 2.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.854 1.057 . . . . 99.989999999999995 113.854 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.73 23.96 76.54 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.043 -0.865 . . . . 99.989999999999995 112.562 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -148.53 116.59 6.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.416 1.608 . . . . 99.989999999999995 110.644 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.16 143.36 41.21 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.609 -1.307 . . . . 99.989999999999995 111.453 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -151.03 122.91 8.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.986 0.514 . . . . 99.989999999999995 110.475 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.3 t -70.4 140.66 52.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.903 -0.57 . . . . 99.989999999999995 110.774 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 O-C-N 125.232 1.583 . . . . 99.989999999999995 111.337 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 113.011 0.745 . . . . 99.989999999999995 113.011 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 119.13 38.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.469 1.031 . . . . 99.989999999999995 108.919 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.48 -41.67 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 109.984 -0.376 . . . . 99.989999999999995 109.984 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -159.23 -176.48 5.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.224 1.409 . . . . 99.989999999999995 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -59.17 -36.2 74.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.942 0.897 . . . . 99.989999999999995 112.346 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.74 -37.07 72.97 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.856 1.663 . . . . 99.989999999999995 111.306 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.91 -6.9 30.2 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.883 0.697 . . . . 99.989999999999995 112.883 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 m -119.64 28.6 8.06 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.453 1.501 . . . . 99.989999999999995 110.664 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -51.95 -33.68 38.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.505 0.593 . . . . 99.989999999999995 112.539 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.91 -32.51 67.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.702 0.63 . . . . 99.989999999999995 112.702 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.47 134.97 48.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 122.136 0.969 . . . . 99.989999999999995 109.428 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.3 -55.67 30.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.957 -1.019 . . . . 99.989999999999995 112.482 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -143.89 0.2 1.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.457 1.103 . . . . 99.989999999999995 111.951 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.97 158.99 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.23 1.412 . . . . 99.989999999999995 112.806 -167.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -63.57 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 126.398 1.879 . . . . 99.989999999999995 115.294 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.68 -78.57 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.01 -1.478 . . . . 99.989999999999995 107.01 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.19 -66.24 0.03 OUTLIER Glycine 0 CA--C 1.522 0.481 0 O-C-N 120.277 -1.514 . . . . 99.989999999999995 113.191 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -100.95 -42.09 6.55 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.357 1.063 . . . . 99.989999999999995 111.734 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -173.72 155.74 2.74 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.434 1.494 . . . . 99.989999999999995 108.54 -171.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -144.06 146.14 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.186 -0.672 . . . . 99.989999999999995 109.186 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.14 19.13 4.57 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.318 -0.864 . . . . 99.989999999999995 113.202 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.07 13.45 72.83 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.216 -1.325 . . . . 99.989999999999995 113.246 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -143.82 122.41 12.51 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.557 1.678 . . . . 99.989999999999995 111.681 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 140.12 48.67 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.816 -0.552 . . . . 99.989999999999995 111.223 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -145.9 138.78 25.81 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 122.716 0.406 . . . . 99.989999999999995 111.36 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -89.06 144.66 25.99 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.25 0.62 . . . . 99.989999999999995 110.865 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 C--O 1.268 2.041 0 C-N-CA 126.344 1.857 . . . . 99.989999999999995 111.063 176.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.061 0.763 . . . . 99.989999999999995 113.061 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.06 105.7 5.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 105.866 -1.902 . . . . 99.989999999999995 105.866 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.61 -30.64 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.407 -0.806 . . . . 99.989999999999995 110.234 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.54 -179.38 7.28 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.957 0.903 . . . . 99.989999999999995 111.563 -174.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -62.81 -40.73 98.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.331 0.652 . . . . 99.989999999999995 111.688 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -20.73 62.05 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.718 0.636 . . . . 99.989999999999995 112.718 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.88 -26.9 62.73 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.777 -1.202 . . . . 99.989999999999995 111.275 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.13 36.35 3.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 123.405 0.682 . . . . 99.989999999999995 109.944 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -52.3 -35.29 50.14 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.627 0.649 . . . . 99.989999999999995 112.16 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.47 -35.51 81.11 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.562 -0.711 . . . . 99.989999999999995 112.293 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.91 129.07 34.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.098 0.475 . . . . 99.989999999999995 110.436 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -46.8 -54.44 9.82 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.432 1.493 . . . . 99.989999999999995 113.733 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -149.11 7.51 0.71 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.848 1.259 . . . . 99.989999999999995 111.613 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.69 -162.58 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.754 0.659 . . . . 99.989999999999995 111.31 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -133.11 148.37 52.14 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.466 -0.568 . . . . 99.989999999999995 109.466 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.1 mm 46.21 79.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.13 1.772 . . . . 99.989999999999995 112.68 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.16 -94.24 0.1 OUTLIER Glycine 0 CA--C 1.524 0.642 0 CA-C-N 115.06 -0.973 . . . . 99.989999999999995 112.574 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -89.36 -47.82 7.76 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.952 0.901 . . . . 99.989999999999995 110.345 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -171.39 166.9 6.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.98 0.912 . . . . 99.989999999999995 111.225 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.91 138.12 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.566 -0.709 . . . . 99.989999999999995 110.65 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.78 35.25 1.4 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.553 1.168 . . . . 99.989999999999995 112.558 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 28.37 73.72 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-O 118.199 -1.334 . . . . 99.989999999999995 113.621 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.47 130.13 21.48 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.909 1.855 . . . . 99.989999999999995 111.73 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 m -91.28 140.05 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 99.989999999999995 110.645 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -152.28 125.65 8.76 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 122.772 0.429 . . . . 99.989999999999995 110.103 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.07 143.0 57.6 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.841 0.456 . . . . 99.989999999999995 110.386 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 C--O 1.241 0.649 0 C-N-CA 124.012 0.925 . . . . 99.989999999999995 112.23 175.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.466 0.543 . . . . 99.989999999999995 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -138.57 104.33 5.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.007 1.323 . . . . 99.989999999999995 108.588 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.0 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 118.265 -0.874 . . . . 99.989999999999995 111.904 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -69.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.664 0.786 . . . . 99.989999999999995 111.749 175.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -148.73 -43.51 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.787 0.835 . . . . 99.989999999999995 111.263 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.93 -30.74 64.27 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.356 0.662 . . . . 99.989999999999995 111.459 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.01 -13.68 28.19 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.748 0.647 . . . . 99.989999999999995 112.748 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -114.38 27.77 9.23 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.501 1.52 . . . . 99.989999999999995 110.325 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.4 m -56.07 -55.14 36.52 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.779 -1.201 . . . . 99.989999999999995 110.728 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.16 -28.17 69.87 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 124.077 0.86 . . . . 99.989999999999995 113.097 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.88 136.09 57.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.731 -0.47 . . . . 99.989999999999995 109.731 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.16 -50.96 14.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.885 0.874 . . . . 99.989999999999995 112.036 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -160.39 19.2 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.448 1.099 . . . . 99.989999999999995 111.841 -175.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.268 1.3 p-10 44.01 -156.9 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.644 0.778 . . . . 99.989999999999995 112.696 -170.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.6 -60.87 1.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.469 0.708 . . . . 99.989999999999995 111.934 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -133.81 70.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.916 0.865 . . . . 99.989999999999995 109.521 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.86 -77.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.981 1.553 . . . . 99.989999999999995 116.981 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 p -76.69 -64.97 1.0 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 119.709 -2.054 . . . . 99.989999999999995 108.946 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 t 179.53 172.24 0.94 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.072 0.949 . . . . 99.989999999999995 111.461 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.65 138.65 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.845 0.858 . . . . 99.989999999999995 109.979 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.329 47.5 m-20 43.52 40.55 2.86 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.966 1.365 . . . . 99.989999999999995 113.507 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.3 17.82 53.71 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 114.976 -1.011 . . . . 99.989999999999995 113.091 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -143.45 124.18 14.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.612 1.706 . . . . 99.989999999999995 111.068 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 142.3 32.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.541 -0.754 . . . . 99.989999999999995 110.946 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -142.33 129.03 20.4 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.478 0.711 . . . . 99.989999999999995 111.271 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.34 146.17 36.88 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.833 -0.432 . . . . 99.989999999999995 109.833 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.826 -1.559 . . . . 99.989999999999995 112.413 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.859 0.689 . . . . 99.989999999999995 112.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.57 114.47 27.51 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.084 -1.08 . . . . 99.989999999999995 108.084 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.42 -38.38 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.551 0.614 . . . . 99.989999999999995 110.45 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 177.93 8.35 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.242 1.417 . . . . 99.989999999999995 111.449 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.18 -39.3 94.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.139 0.976 . . . . 99.989999999999995 112.079 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.68 -22.99 66.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.57 0.748 . . . . 99.989999999999995 111.301 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -25.52 63.88 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.248 -1.532 . . . . 99.989999999999995 110.969 173.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.256 86.5 m -115.65 37.65 3.53 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.919 0.887 . . . . 99.989999999999995 109.822 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -32.55 14.73 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.906 0.883 . . . . 99.989999999999995 112.676 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.21 -35.5 63.92 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.902 -0.499 . . . . 99.989999999999995 112.07 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.33 135.72 49.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.462 0.649 . . . . 99.989999999999995 109.649 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -50.45 -55.23 16.78 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.225 -0.898 . . . . 99.989999999999995 112.912 -174.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -147.02 6.78 0.89 Allowed 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.193 0.997 . . . . 99.989999999999995 112.473 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 45.4 -160.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.8 1.24 . . . . 99.989999999999995 111.982 -169.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -146.13 147.02 31.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 121.202 -0.936 . . . . 99.989999999999995 110.817 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.8 mm 52.23 78.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.563 1.145 . . . . 99.989999999999995 111.894 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.61 -91.57 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-O 118.922 -0.932 . . . . 99.989999999999995 112.002 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.1 m -97.99 -44.22 6.75 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.704 1.202 . . . . 99.989999999999995 111.719 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 p -176.51 170.23 2.51 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.824 1.25 . . . . 99.989999999999995 111.351 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 p -123.48 150.34 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.734 -0.469 . . . . 99.989999999999995 109.734 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.0 27.48 13.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.32 -0.863 . . . . 99.989999999999995 112.752 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.13 15.65 65.58 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-O 117.122 -1.932 . . . . 99.989999999999995 113.197 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -141.12 123.53 15.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.334 1.454 . . . . 99.989999999999995 111.503 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.17 146.92 53.44 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 120.733 -1.229 . . . . 99.989999999999995 112.064 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -149.67 121.41 8.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.206 0.602 . . . . 99.989999999999995 111.074 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 t -66.02 139.33 58.2 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.442 0.697 . . . . 99.989999999999995 111.21 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.968 1.707 . . . . 99.989999999999995 111.688 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.01 -0.995 . . . . 99.989999999999995 111.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.91 118.41 20.19 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.192 0.997 . . . . 99.989999999999995 111.617 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.04 -37.63 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.956 -0.545 . . . . 99.989999999999995 110.718 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -163.05 -179.81 6.98 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.023 1.329 . . . . 99.989999999999995 111.079 -171.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -65.59 -39.45 91.6 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.011 0.924 . . . . 99.989999999999995 112.276 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -57.59 -32.63 67.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.458 0.703 . . . . 99.989999999999995 111.339 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -20.05 55.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.873 0.869 . . . . 99.989999999999995 111.93 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 38.8 m -108.77 20.81 18.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.917 1.287 . . . . 99.989999999999995 112.777 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -59.22 -34.91 72.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.094 0.776 . . . . 99.989999999999995 113.094 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.96 -21.17 63.23 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.959 -0.463 . . . . 99.989999999999995 111.788 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.69 138.39 31.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.669 0.788 . . . . 99.989999999999995 109.065 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 p -42.97 -51.04 5.77 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.623 1.169 . . . . 99.989999999999995 112.826 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.75 14.19 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.97 1.308 . . . . 99.989999999999995 112.752 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.305 6.6 t70 54.5 155.64 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.802 2.041 . . . . 99.989999999999995 114.904 -169.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -85.0 -25.94 27.39 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.088 -1.633 . . . . 99.989999999999995 112.258 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.65 88.1 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.269 0.941 . . . . 99.989999999999995 109.895 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.2 -99.28 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.854 -0.97 . . . . 99.989999999999995 112.115 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 m -90.54 -44.55 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 117.779 0.79 . . . . 99.989999999999995 111.773 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.02 161.07 36.54 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.745 1.218 . . . . 99.989999999999995 112.463 -172.791 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -107.62 115.74 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.21 1.004 . . . . 99.989999999999995 110.442 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 52.06 27.93 4.91 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.72 1.248 . . . . 99.989999999999995 112.924 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.16 66.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 118.312 -1.271 . . . . 99.989999999999995 113.475 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -132.29 129.08 39.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.428 1.614 . . . . 99.989999999999995 110.747 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -67.63 125.18 25.38 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.761 -0.587 . . . . 99.989999999999995 109.802 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -150.24 139.99 21.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.151 0.432 . . . . 99.989999999999995 110.656 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -98.95 145.64 26.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 117.494 -1.241 . . . . 99.989999999999995 109.529 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 C--O 1.254 1.294 0 CA-C-O 115.022 -2.418 . . . . 99.989999999999995 114.955 174.36 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.334 0.587 . . . . 99.989999999999995 112.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.39 147.03 52.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.371 2.268 . . . . 99.989999999999995 106.019 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 -37.67 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.277 0.49 . . . . 99.989999999999995 110.96 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 m -163.65 -177.81 5.41 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.217 1.007 . . . . 99.989999999999995 109.78 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -44.11 94.93 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.019 0.928 . . . . 99.989999999999995 112.77 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -51.8 -40.3 60.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.423 1.489 . . . . 99.989999999999995 111.392 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.2 -11.61 42.57 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.22 0.608 . . . . 99.989999999999995 112.251 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 m -136.91 30.51 2.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.091 1.356 . . . . 99.989999999999995 110.452 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -51.71 -27.91 13.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.011 0.924 . . . . 99.989999999999995 112.355 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -28.72 67.65 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.841 0.682 . . . . 99.989999999999995 112.841 177.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -76.63 137.63 39.59 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.014 0.926 . . . . 99.989999999999995 109.162 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 p -47.45 -48.41 26.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.765 0.826 . . . . 99.989999999999995 112.932 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -161.32 18.02 0.11 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.521 1.529 . . . . 99.989999999999995 111.815 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 60.17 170.09 0.08 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 123.145 1.45 . . . . 99.989999999999995 111.284 -169.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -26.34 65.75 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 125.999 1.719 . . . . 99.989999999999995 110.824 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mt -145.63 -60.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.561 0.744 . . . . 99.989999999999995 112.728 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.38 -26.76 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.259 -0.745 . . . . 99.989999999999995 114.589 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -136.64 -57.8 0.73 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 117.756 0.778 . . . . 99.989999999999995 110.27 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.2 t -177.81 159.83 1.44 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.453 1.101 . . . . 99.989999999999995 110.671 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.98 146.15 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 123.2 0.6 . . . . 99.989999999999995 110.344 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.307 75.0 m-20 50.42 32.53 6.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.744 1.259 . . . . 99.989999999999995 113.538 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.03 10.32 39.36 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.543 -1.699 . . . . 99.989999999999995 113.544 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -124.93 125.53 44.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 125.807 1.643 . . . . 99.989999999999995 110.174 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 119.8 30.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.687 -0.688 . . . . 99.989999999999995 110.208 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -147.83 135.06 20.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.014 1.325 . . . . 99.989999999999995 109.767 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.81 141.5 51.36 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.357 -0.84 . . . . 99.989999999999995 109.009 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 C--O 1.257 1.485 0 N-CA-C 112.985 0.735 . . . . 99.989999999999995 112.985 176.356 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.969 1.099 . . . . 99.989999999999995 113.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.43 108.4 10.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.54 -1.281 . . . . 99.989999999999995 107.54 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.92 -32.59 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 123.577 0.548 . . . . 99.989999999999995 110.822 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.02 179.1 7.19 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.657 0.783 . . . . 99.989999999999995 110.859 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -57.85 -39.36 77.53 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 99.989999999999995 111.672 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -64.49 -29.51 70.55 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.215 1.006 . . . . 99.989999999999995 112.489 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.11 -5.73 29.0 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.979 -1.076 . . . . 99.989999999999995 112.092 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.96 26.7 9.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 125.505 1.522 . . . . 99.989999999999995 109.973 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -54.18 -27.22 32.6 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.186 0.903 . . . . 99.989999999999995 112.847 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -29.71 49.78 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.287 -0.883 . . . . 99.989999999999995 113.08 174.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.54 143.54 48.28 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 122.452 1.12 . . . . 99.989999999999995 110.506 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -51.74 19.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 99.989999999999995 113.047 -172.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -140.6 8.02 2.15 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.708 0.803 . . . . 99.989999999999995 111.852 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.55 4.0 p30 25.79 -147.62 0.0 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 126.591 1.956 . . . . 99.989999999999995 114.901 -163.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 m -99.93 -60.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 118.85 0.75 . . . . 99.989999999999995 111.266 -168.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 mt -134.17 81.98 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.127 -0.694 . . . . 99.989999999999995 109.127 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.1 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.824 1.202 . . . . 99.989999999999995 114.633 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -67.42 -63.65 1.02 Allowed 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -1.206 . . . . 99.989999999999995 109.991 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t 177.36 167.33 0.62 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.373 1.469 . . . . 99.989999999999995 110.735 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.25 152.47 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.001 -0.741 . . . . 99.989999999999995 109.001 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 57.39 13.67 1.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.413 0.894 . . . . 99.989999999999995 113.413 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 23.58 69.93 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 117.586 -1.674 . . . . 99.989999999999995 113.193 -171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -141.17 128.61 21.23 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.741 1.771 . . . . 99.989999999999995 110.951 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.52 121.55 34.08 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.106 -0.331 . . . . 99.989999999999995 110.106 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -132.78 129.5 38.69 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.102 0.408 . . . . 99.989999999999995 112.102 176.398 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.98 141.7 45.86 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 125.131 1.519 . . . . 99.989999999999995 110.694 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 O-C-N 125.153 1.533 . . . . 99.989999999999995 112.05 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.453 -0.784 . . . . 99.989999999999995 113.006 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 116.18 26.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.879 1.218 . . . . 99.989999999999995 111.619 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -75.05 -34.55 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 119.163 -0.446 . . . . 99.989999999999995 111.562 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -176.26 1.52 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.928 0.891 . . . . 99.989999999999995 111.245 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -47.94 -40.23 21.52 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.694 1.198 . . . . 99.989999999999995 112.341 173.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.58 -38.52 78.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.218 1.407 . . . . 99.989999999999995 111.85 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.1 -17.89 64.85 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.891 -0.506 . . . . 99.989999999999995 111.681 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -117.71 31.69 6.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.272 1.429 . . . . 99.989999999999995 110.176 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 m -51.4 -43.2 61.87 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.349 -0.844 . . . . 99.989999999999995 110.443 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -65.4 -36.19 83.21 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.662 0.785 . . . . 99.989999999999995 113.077 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.15 139.76 52.47 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.936 0.398 . . . . 99.989999999999995 111.057 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.0 -57.14 8.46 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.373 0.669 . . . . 99.989999999999995 112.008 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -146.89 19.93 1.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.663 0.785 . . . . 99.989999999999995 113.007 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.302 0.6 OUTLIER 45.32 -159.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.973 0.909 . . . . 99.989999999999995 112.196 -174.825 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -91.2 -51.0 5.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 118.631 -0.7 . . . . 99.989999999999995 112.592 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.49 -58.07 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 99.989999999999995 110.718 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.13 -13.8 0.02 OUTLIER Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.886 0.714 . . . . 99.989999999999995 114.886 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -140.69 -43.44 0.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.187 -1.184 . . . . 99.989999999999995 111.728 170.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -172.67 152.93 2.64 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.12 0.968 . . . . 99.989999999999995 108.579 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.46 149.32 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.784 -0.821 . . . . 99.989999999999995 108.784 171.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 55.23 18.87 2.64 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.337 0.866 . . . . 99.989999999999995 113.337 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.99 14.34 70.64 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.261 -1.299 . . . . 99.989999999999995 113.48 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -143.68 120.24 11.07 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.194 1.497 . . . . 99.989999999999995 111.241 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.43 142.87 48.65 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.217 -0.927 . . . . 99.989999999999995 111.572 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -150.88 120.86 7.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 118.537 -0.744 . . . . 99.989999999999995 110.061 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.6 t -73.08 137.83 45.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.485 -0.769 . . . . 99.989999999999995 111.097 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.3 ttm . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.828 -2.511 . . . . 99.989999999999995 113.314 -178.589 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.505 -0.759 . . . . 99.989999999999995 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.59 124.5 30.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.243 0.929 . . . . 99.989999999999995 110.012 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.47 -35.57 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.775 -0.454 . . . . 99.989999999999995 109.775 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -178.58 6.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.002 1.321 . . . . 99.989999999999995 110.942 -172.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.77 -37.72 88.42 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.183 0.993 . . . . 99.989999999999995 112.334 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.07 -30.8 69.46 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.287 0.635 . . . . 99.989999999999995 111.594 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.38 -11.18 49.99 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.45 0.537 . . . . 99.989999999999995 112.45 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.9 m -112.76 25.95 10.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.329 1.451 . . . . 99.989999999999995 111.109 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.6 m -52.93 -30.08 32.39 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.112 0.869 . . . . 99.989999999999995 112.357 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.31 -30.48 48.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.391 0.676 . . . . 99.989999999999995 112.599 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 141.32 58.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.406 1.098 . . . . 99.989999999999995 109.676 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.06 -58.28 5.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.085 -0.961 . . . . 99.989999999999995 110.977 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -149.78 16.9 0.88 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.109 0.963 . . . . 99.989999999999995 112.35 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.314 2.0 p30 43.68 -163.19 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.898 1.679 . . . . 99.989999999999995 111.859 -170.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -132.89 18.64 4.16 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.703 -1.248 . . . . 99.989999999999995 112.975 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.6 -48.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.4 0.68 . . . . 99.989999999999995 111.202 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.76 -17.32 0.65 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 124.44 1.019 . . . . 99.989999999999995 113.353 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -158.5 -38.12 0.06 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.085 0.554 . . . . 99.989999999999995 111.836 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -167.66 158.15 10.91 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.666 0.787 . . . . 99.989999999999995 109.459 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.69 132.34 14.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 118.078 0.399 . . . . 99.989999999999995 109.992 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.64 23.02 3.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.97 0.891 . . . . 99.989999999999995 112.948 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.56 5.59 89.36 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 118.377 -1.235 . . . . 99.989999999999995 113.58 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -140.0 124.38 17.95 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.733 1.767 . . . . 99.989999999999995 110.702 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 134.66 51.24 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 119.909 -1.744 . . . . 99.989999999999995 110.46 178.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -130.99 124.64 31.4 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 117.262 -1.351 . . . . 99.989999999999995 109.93 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -80.56 147.57 30.73 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.512 1.051 . . . . 99.989999999999995 109.4 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 C--O 1.259 1.575 0 CA-C-O 116.585 -1.674 . . . . 99.989999999999995 112.294 174.705 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 112.842 0.682 . . . . 99.989999999999995 112.842 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.0 118.08 35.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.26 0.936 . . . . 99.989999999999995 109.409 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.38 -29.45 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 122.707 0.403 . . . . 99.989999999999995 110.675 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.84 -178.0 6.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.062 1.345 . . . . 99.989999999999995 111.15 -172.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.53 -41.74 79.48 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.881 0.697 . . . . 99.989999999999995 112.881 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.18 -34.17 63.62 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.369 1.067 . . . . 99.989999999999995 111.19 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -62.43 -13.16 26.86 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.716 0.635 . . . . 99.989999999999995 112.716 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -118.68 33.37 5.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.324 1.049 . . . . 99.989999999999995 110.165 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 m -56.69 -32.61 65.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.199 0.6 . . . . 99.989999999999995 112.085 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.4 -30.69 68.71 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.454 -0.779 . . . . 99.989999999999995 112.205 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.88 137.08 33.01 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.719 0.771 . . . . 99.989999999999995 110.768 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -53.87 45.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.027 0.931 . . . . 99.989999999999995 113.465 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -139.29 5.26 2.27 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.187 0.995 . . . . 99.989999999999995 111.958 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.94 -164.92 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.313 1.008 . . . . 99.989999999999995 110.277 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -111.72 130.59 55.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.6 -0.889 . . . . 99.989999999999995 108.6 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mm 61.79 -64.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.453 1.901 . . . . 99.989999999999995 113.788 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.6 -51.8 0.03 OUTLIER Glycine 0 C--O 1.226 -0.39 0 CA-C-N 119.079 0.854 . . . . 99.989999999999995 114.307 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.7 p -105.15 -53.03 2.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 117.658 0.729 . . . . 99.989999999999995 111.341 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -173.3 152.71 2.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.415 1.086 . . . . 99.989999999999995 109.266 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -139.34 147.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 108.908 -0.775 . . . . 99.989999999999995 108.908 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 51.29 24.41 2.06 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.836 1.05 . . . . 99.989999999999995 113.836 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.18 65.53 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.397 -1.224 . . . . 99.989999999999995 112.831 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -143.75 123.63 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.52 1.66 . . . . 99.989999999999995 110.796 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.03 144.66 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.45 -0.781 . . . . 99.989999999999995 111.655 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -148.01 126.07 12.1 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.788 -0.625 . . . . 99.989999999999995 110.595 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.85 139.34 50.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 118.443 -0.789 . . . . 99.989999999999995 110.643 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.3 tmm? . . . . . 0 C--O 1.255 1.346 0 O-C-N 125.671 1.857 . . . . 99.989999999999995 111.33 179.422 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.151 0.797 . . . . 99.989999999999995 113.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.69 160.46 30.71 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.537 1.135 . . . . 99.989999999999995 108.365 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -117.38 -47.2 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 122.501 0.32 . . . . 99.989999999999995 110.771 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -159.88 -63.22 0.07 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.936 -0.478 . . . . 99.989999999999995 111.447 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -154.23 -43.87 0.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.948 0.499 . . . . 99.989999999999995 111.97 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.08 -33.5 69.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.154 0.582 . . . . 99.989999999999995 111.607 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.84 0.18 11.72 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.303 0.853 . . . . 99.989999999999995 113.303 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.1 m -130.81 29.44 4.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.928 1.691 . . . . 99.989999999999995 110.429 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -52.39 -28.22 18.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.005 0.821 . . . . 99.989999999999995 112.561 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -21.69 34.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 120.892 -1.13 . . . . 99.989999999999995 113.543 176.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.07 131.96 40.93 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.188 -0.945 . . . . 99.989999999999995 109.736 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -56.37 23.08 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.482 -0.781 . . . . 99.989999999999995 113.018 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.37 18.2 0.74 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.257 0.623 . . . . 99.989999999999995 111.632 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 58.46 172.89 0.06 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 123.234 1.492 . . . . 99.989999999999995 111.991 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -61.35 -30.37 70.48 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 119.403 -2.061 . . . . 99.989999999999995 109.11 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.58 -60.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 112.997 0.74 . . . . 99.989999999999995 112.997 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.66 8.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-O 118.272 -1.293 . . . . 99.989999999999995 115.268 -175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.4 p -164.87 -53.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.672 1.236 . . . . 99.989999999999995 112.814 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 t -176.38 152.44 1.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.47 1.108 . . . . 99.989999999999995 109.634 -174.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.69 139.55 42.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.52 -0.548 . . . . 99.989999999999995 109.52 173.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 55.32 25.08 7.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.729 1.381 . . . . 99.989999999999995 114.729 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.35 72.33 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.403 -1.436 . . . . 99.989999999999995 111.991 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.03 124.29 12.25 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.375 1.87 . . . . 99.989999999999995 110.342 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 124.57 32.04 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 120.515 -1.366 . . . . 99.989999999999995 109.624 178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -138.36 137.17 37.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.301 0.641 . . . . 99.989999999999995 110.354 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.23 136.99 39.27 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.234 0.614 . . . . 99.989999999999995 109.996 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.1 mtm . . . . . 0 C--O 1.262 1.755 0 C-N-CA 127.323 2.249 . . . . 99.989999999999995 109.146 175.753 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 159.3 15.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.711 0.687 . . . . 0.0 110.756 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.23 -32.59 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 122.707 0.403 . . . . 0.0 111.637 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.37 5.46 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.03 0.932 . . . . 0.0 110.803 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.96 -44.79 87.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.68 -39.83 62.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.208 1.403 . . . . 0.0 111.628 175.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.52 -9.31 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 111.857 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 m -138.49 28.55 2.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.617 1.567 . . . . 0.0 111.407 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.0 m -50.44 -29.72 10.93 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.046 0.839 . . . . 0.0 112.538 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.89 -31.03 66.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.265 0.626 . . . . 0.0 112.181 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -72.16 137.83 47.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.51 0.724 . . . . 0.0 109.91 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 p -46.24 -52.44 12.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.91 0.884 . . . . 0.0 112.159 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.3 38.18 0.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.472 1.109 . . . . 0.0 110.881 176.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.371 0.0 OUTLIER 49.76 -172.84 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.651 1.58 . . . . 0.0 114.343 -172.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -56.17 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.58 -1.325 . . . . 0.0 110.855 -176.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.56 -54.64 4.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.152 0.581 . . . . 0.0 111.199 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.5 -17.53 0.02 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.355 0.902 . . . . 0.0 115.355 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -156.89 -35.39 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.425 1.112 . . . . 0.0 110.838 168.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.4 t -170.7 150.94 3.38 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.067 0.947 . . . . 0.0 109.107 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.78 145.37 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.666 0.666 . . . . 0.0 109.565 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 52.47 28.82 6.29 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.216 1.008 . . . . 0.0 113.32 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.58 59.78 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 117.854 -1.526 . . . . 0.0 113.538 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -132.68 128.9 37.99 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.717 1.607 . . . . 0.0 109.717 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 118.75 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.108 -0.995 . . . . 0.0 110.344 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -146.97 132.83 19.04 Favored 'General case' 0 C--O 1.215 -0.716 0 C-N-CA 123.629 0.771 . . . . 0.0 111.234 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.6 133.61 43.53 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.116 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 C--O 1.248 1.025 0 O-C-N 124.278 0.986 . . . . 0.0 112.427 175.298 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.34 116.79 23.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.669 1.188 . . . . 0.0 109.388 -176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.1 -34.47 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.771 -0.581 . . . . 0.0 110.641 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.06 179.72 7.76 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.136 0.975 . . . . 0.0 110.899 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -63.71 -44.51 93.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.269 1.028 . . . . 0.0 112.518 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.55 -31.45 62.15 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.789 0.835 . . . . 0.0 111.909 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.91 -23.68 33.01 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.46 0.704 . . . . 0.0 111.934 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 m -133.13 32.12 3.76 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.3 1.04 . . . . 0.0 110.866 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.1 m -46.87 -30.82 2.7 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.391 1.076 . . . . 0.0 112.519 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -57.4 -29.19 63.9 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 24' ' ' CYS . 75.0 mt -75.31 143.08 43.12 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.863 0.865 . . . . 0.0 109.49 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.5 p -47.02 -49.75 20.52 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.32 0.648 . . . . 0.0 112.275 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -156.94 14.09 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.019 1.328 . . . . 0.0 113.183 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.381 1.4 p30 45.65 -161.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.842 1.257 . . . . 0.0 112.067 -166.684 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 m -144.21 136.25 26.3 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.24 -0.913 . . . . 0.0 109.47 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm 49.46 84.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.032 1.733 . . . . 0.0 112.697 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.81 -86.52 0.1 OUTLIER Glycine 0 CA--C 1.525 0.662 0 CA-C-O 118.706 -1.052 . . . . 0.0 112.575 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 -34.06 6.23 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 125.033 1.078 . . . . 0.0 111.62 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 p 175.81 177.09 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.301 1.441 . . . . 0.0 111.778 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -122.75 141.84 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 109.353 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.21 18.85 3.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.511 0.724 . . . . 0.0 112.897 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.54 79.16 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 117.103 -1.943 . . . . 0.0 113.451 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -110.0 124.26 51.13 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.157 1.783 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.7 133.93 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.326 175.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 16.8 tptm -148.78 150.84 33.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.758 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t -105.18 141.87 35.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.985 0.914 . . . . 0.0 109.31 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 C--O 1.253 1.255 0 O-C-N 125.166 1.541 . . . . 0.0 111.698 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 155.91 17.97 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.814 0.734 . . . . 0.0 110.555 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.08 -32.69 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 123.535 0.522 . . . . 0.0 110.628 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.25 176.39 5.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.89 0.876 . . . . 0.0 110.458 -176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -53.26 -40.64 64.79 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.88 -42.16 71.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.571 1.148 . . . . 0.0 111.639 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.03 -2.89 19.99 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.576 0.75 . . . . 0.0 111.864 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.82 27.5 8.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.36 1.864 . . . . 0.0 110.274 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -54.75 -38.54 67.3 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.412 1.006 . . . . 0.0 113.663 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -26.69 68.06 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.56 -0.713 . . . . 0.0 111.724 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 26' ' ' CYS . 1.6 mm? -88.14 131.81 34.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.362 1.077 . . . . 0.0 109.105 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.7 p -49.12 -47.94 44.98 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.358 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 22.86 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.15 0.98 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.52 171.16 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.387 1.089 . . . . 0.0 111.923 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -7.43 59.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.414 -1.429 . . . . 0.0 110.878 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.22 -58.55 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.036 0.934 . . . . 0.0 113.111 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.78 -41.46 0.08 OUTLIER Glycine 0 N--CA 1.461 0.341 0 N-CA-C 116.844 1.498 . . . . 0.0 116.844 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -133.2 -39.28 0.93 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.137 0.969 . . . . 0.0 111.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -175.16 151.29 1.27 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.834 1.254 . . . . 0.0 108.39 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.15 144.54 25.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 54.98 20.19 3.06 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.31 17.24 74.06 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-O 117.9 -1.5 . . . . 0.0 112.755 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -146.13 122.14 10.72 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.509 1.654 . . . . 0.0 112.721 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 133.52 38.22 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.003 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -148.96 130.74 15.09 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.554 0.742 . . . . 0.0 110.141 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' H ' HD12 ' A' ' 11' ' ' LEU . 9.3 t -86.23 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.386 176.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 C--O 1.255 1.361 0 CA-C-O 115.445 -2.217 . . . . 0.0 115.653 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.41 104.01 7.94 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.16 -37.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.497 -0.287 . . . . 0.0 111.024 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -177.93 5.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.316 1.046 . . . . 0.0 111.198 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -61.89 -42.17 98.76 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.722 0.809 . . . . 0.0 111.931 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.29 -29.99 70.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.638 0.775 . . . . 0.0 111.859 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.43 -6.57 19.9 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 m -115.15 20.3 15.07 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.553 1.541 . . . . 0.0 111.042 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -58.24 -32.27 68.19 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.853 0.751 . . . . 0.0 112.987 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.75 -26.14 67.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.29 0.636 . . . . 0.0 111.591 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.53 138.21 31.9 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.8 0.809 . . . . 0.0 109.594 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 p -46.92 -49.3 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.305 1.042 . . . . 0.0 112.627 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -155.54 15.86 0.38 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.195 1.398 . . . . 0.0 111.836 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.51 3.9 p30 32.48 -149.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.729 1.612 . . . . 0.0 114.968 -162.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -91.49 -69.44 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.361 -0.837 . . . . 0.0 111.117 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.1 mt -133.35 84.43 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.635 0.731 . . . . 0.0 109.224 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.87 -87.9 0.01 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.435 1.017 . . . . 0.0 114.883 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -67.71 -62.66 1.31 Allowed 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.961 -1.317 . . . . 0.0 109.801 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 t 178.12 173.05 0.64 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.208 1.403 . . . . 0.0 111.216 -175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -142.54 142.38 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.691 0.796 . . . . 0.0 109.904 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 47.58 32.29 2.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.629 1.204 . . . . 0.0 112.585 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 25.62 65.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.473 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -142.07 126.73 17.97 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.325 1.562 . . . . 0.0 110.465 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.89 131.23 39.51 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.391 -0.818 . . . . 0.0 110.307 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.01 130.88 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.146 0.978 . . . . 0.0 109.446 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 t -72.69 141.75 48.23 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.957 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 C--O 1.249 1.041 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.292 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 113.23 25.29 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -70.76 -38.63 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.473 0.578 . . . . 0.0 110.449 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.33 179.41 9.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.826 0.85 . . . . 0.0 111.415 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -61.26 -36.61 80.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.964 0.905 . . . . 0.0 112.404 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.42 -28.58 63.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.537 1.135 . . . . 0.0 110.771 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.67 -25.62 40.47 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.775 -1.203 . . . . 0.0 112.214 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 m -121.09 30.13 6.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.005 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -50.72 -32.16 18.69 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.744 0.818 . . . . 0.0 112.64 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.12 -30.05 70.14 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.602 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.54 140.64 37.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.4 p -42.84 -48.75 5.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.394 1.078 . . . . 0.0 113.181 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -153.9 16.94 0.5 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.772 1.229 . . . . 0.0 112.055 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.328 2.3 p30 40.78 -157.98 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.527 1.131 . . . . 0.0 113.245 -169.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.6 111.89 22.42 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.663 -0.648 . . . . 0.0 109.801 -172.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm 64.07 -56.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.84 2.056 . . . . 0.0 114.386 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.16 -23.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 119.234 0.925 . . . . 0.0 114.697 174.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -133.33 -54.96 0.91 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.543 0.737 . . . . 0.0 111.539 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t 179.92 146.7 0.24 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.149 1.379 . . . . 0.0 108.783 -170.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -137.26 141.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.426 0.557 . . . . 0.0 109.637 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 48.47 34.85 5.16 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 123.032 1.396 . . . . 0.0 113.622 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 21.3 63.53 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-O 118.049 -1.417 . . . . 0.0 112.971 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -141.61 127.06 18.81 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.232 1.516 . . . . 0.0 111.426 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 132.45 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.889 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -151.6 126.21 9.53 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.714 0.406 . . . . 0.0 111.418 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 t -62.56 143.51 57.15 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.601 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.257 1.451 0 O-C-N 124.557 1.161 . . . . 0.0 111.948 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 112.81 26.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.425 1.011 . . . . 0.0 109.556 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.37 -39.14 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.082 0.401 . . . . 0.0 110.656 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.65 -179.09 7.83 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.056 0.942 . . . . 0.0 111.058 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.54 -43.93 89.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.513 1.149 . . . . 0.0 111.489 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.65 -33.63 73.08 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.273 1.429 . . . . 0.0 111.612 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.6 -8.65 21.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.1 m -128.38 24.66 5.85 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.268 1.427 . . . . 0.0 111.129 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -49.39 -33.48 13.89 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.082 0.953 . . . . 0.0 112.771 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -58.09 -34.23 69.95 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.624 -0.672 . . . . 0.0 112.386 177.569 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 mt -76.21 141.13 41.88 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.793 0.837 . . . . 0.0 109.671 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -46.23 -45.21 16.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -152.52 8.34 0.45 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.68 1.192 . . . . 0.0 112.312 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.307 2.9 p30 42.74 -162.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.231 1.412 . . . . 0.0 112.61 -165.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 115.64 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.387 -0.821 . . . . 0.0 110.278 -171.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm 65.7 -60.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.714 2.005 . . . . 0.0 113.206 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.11 -34.02 0.02 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 118.105 -1.386 . . . . 0.0 113.256 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -130.62 -50.61 1.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.047 0.923 . . . . 0.0 112.118 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -176.48 152.68 1.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.04 0.936 . . . . 0.0 109.275 -171.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.11 148.7 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 118.373 0.533 . . . . 0.0 109.901 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 50.05 29.27 3.41 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.12 22.85 63.3 Favored Glycine 0 CA--C 1.526 0.767 0 O-C-N 120.678 -1.264 . . . . 0.0 113.342 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -142.6 125.72 16.36 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.012 1.406 . . . . 0.0 111.003 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.39 134.64 34.08 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.623 -0.673 . . . . 0.0 110.961 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -149.06 129.02 13.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.798 0.839 . . . . 0.0 110.903 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.71 141.95 56.47 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.024 -0.512 . . . . 0.0 110.073 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.854 176.146 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 120.41 41.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.236 0.926 . . . . 0.0 109.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.0 t -87.33 -29.61 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.043 0.537 . . . . 0.0 110.727 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -178.11 5.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.774 1.23 . . . . 0.0 110.826 -174.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -67.04 -38.92 86.74 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.02 -34.97 68.72 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.486 0.715 . . . . 0.0 111.504 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.35 -14.3 38.26 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.6 m -117.87 29.22 7.95 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.648 1.579 . . . . 0.0 110.905 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.9 m -48.73 -42.1 34.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.719 0.808 . . . . 0.0 111.449 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.52 -35.08 79.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.866 0.867 . . . . 0.0 112.494 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -72.11 146.63 47.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.723 1.249 . . . . 0.0 110.316 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.487 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.7 m -72.35 -56.37 5.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.894 -175.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -151.24 23.69 0.73 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 42.89 -153.86 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.293 1.037 . . . . 0.0 112.708 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -92.21 -43.85 9.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 117.548 -1.215 . . . . 0.0 113.498 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -115.8 -56.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 120.09 1.314 . . . . 0.0 111.065 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 13.4 0.03 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-O 118.747 -1.029 . . . . 0.0 113.855 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 p -163.59 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.961 1.304 . . . . 0.0 111.385 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -173.7 149.34 1.59 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.68 1.192 . . . . 0.0 109.872 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -143.1 143.48 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.16 0.584 . . . . 0.0 109.507 176.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 52.74 30.33 8.75 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.628 -1.295 . . . . 0.0 112.761 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 20.18 62.21 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.483 -1.176 . . . . 0.0 113.073 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -140.02 137.07 34.34 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.319 1.559 . . . . 0.0 109.661 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 138.85 31.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 120.429 -1.42 . . . . 0.0 109.388 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 26' ' ' CYS . 1.3 tmpt? -149.45 118.56 6.76 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.797 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -67.96 134.07 50.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 117.411 -1.281 . . . . 0.0 111.696 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp . . . . . 0 C--O 1.256 1.411 0 CA-C-O 114.716 -2.564 . . . . 0.0 113.623 178.361 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.84 114.07 24.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.215 0.916 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -82.56 -29.0 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.088 0.555 . . . . 0.0 111.326 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -177.68 5.31 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.661 1.184 . . . . 0.0 110.69 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.99 89.67 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.64 -34.82 67.67 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.774 0.83 . . . . 0.0 111.398 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.47 -9.41 25.49 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.929 0.492 . . . . 0.0 112.179 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.4 m -121.86 28.15 7.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.087 1.755 . . . . 0.0 110.925 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 m -52.08 -33.99 41.77 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.672 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -33.84 74.58 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.891 0.477 . . . . 0.0 112.15 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -76.34 136.58 39.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 122.408 1.099 . . . . 0.0 110.646 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -56.51 20.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.813 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -155.66 28.39 0.38 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.867 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 41.72 -161.73 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.204 1.402 . . . . 0.0 113.48 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -78.06 -67.82 0.69 Allowed 'General case' 0 C--N 1.333 -0.139 0 O-C-N 120.546 -1.346 . . . . 0.0 110.74 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.17 -76.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.235 0.925 . . . . 0.0 108.557 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.32 17.44 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.953 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -163.44 -60.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.045 1.338 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -171.74 154.06 3.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.427 1.491 . . . . 0.0 109.035 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.76 144.47 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.661 -0.649 . . . . 0.0 109.387 172.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 51.46 24.37 2.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.901 0.857 . . . . 0.0 113.261 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.96 21.05 75.15 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.334 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -141.8 129.39 21.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.319 1.848 . . . . 0.0 110.664 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 137.54 32.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.495 -1.378 . . . . 0.0 110.256 177.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -149.11 118.65 6.95 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.908 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' H ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -67.07 141.19 57.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.798 177.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 ptt? . . . . . 0 C--O 1.256 1.428 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 176.582 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 118.374 -0.822 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 114.06 20.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.295 0.952 . . . . 0.0 109.095 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -85.34 -27.82 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.308 0.643 . . . . 0.0 111.108 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 -176.89 5.95 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.412 1.085 . . . . 0.0 111.339 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -65.78 -45.7 81.48 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.163 0.985 . . . . 0.0 112.003 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.74 -29.86 68.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.635 0.374 . . . . 0.0 111.304 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -21.8 37.2 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.664 -0.647 . . . . 0.0 112.208 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.2 29.09 8.26 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 124.811 1.245 . . . . 0.0 110.81 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 m -54.58 -30.81 55.51 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.77 -31.44 68.22 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.082 -1.011 . . . . 0.0 111.636 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.19 139.68 35.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.27 1.033 . . . . 0.0 110.551 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -69.48 -50.17 47.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.839 -173.092 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -144.48 6.26 1.26 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.383 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER 53.26 -176.65 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.014 0.926 . . . . 0.0 111.837 -172.183 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 49.7 p -61.55 -80.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.958 1.303 . . . . 0.0 112.207 173.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.2 -74.19 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 119.995 -1.691 . . . . 0.0 110.107 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.14 -29.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.075 -0.847 . . . . 0.0 114.307 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 p -118.47 -55.29 2.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 117.96 0.88 . . . . 0.0 111.541 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -173.23 154.71 2.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.303 1.041 . . . . 0.0 108.798 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.56 147.61 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.624 0.647 . . . . 0.0 110.111 169.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.67 16.7 2.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.73 23.96 76.54 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.043 -0.865 . . . . 0.0 112.562 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -148.53 116.59 6.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.416 1.608 . . . . 0.0 110.644 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.16 143.36 41.21 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.609 -1.307 . . . . 0.0 111.453 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -151.03 122.91 8.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.986 0.514 . . . . 0.0 110.475 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 9.3 t -70.4 140.66 52.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.774 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 O-C-N 125.232 1.583 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 119.13 38.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.469 1.031 . . . . 0.0 108.919 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.48 -41.67 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -159.23 -176.48 5.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.224 1.409 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -59.17 -36.2 74.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.942 0.897 . . . . 0.0 112.346 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.74 -37.07 72.97 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.856 1.663 . . . . 0.0 111.306 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.91 -6.9 30.2 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 m -119.64 28.6 8.06 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.453 1.501 . . . . 0.0 110.664 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -51.95 -33.68 38.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.505 0.593 . . . . 0.0 112.539 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.91 -32.51 67.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.47 134.97 48.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 122.136 0.969 . . . . 0.0 109.428 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.3 -55.67 30.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.482 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -143.89 0.2 1.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.457 1.103 . . . . 0.0 111.951 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.97 158.99 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.806 -167.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -63.57 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 126.398 1.879 . . . . 0.0 115.294 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.68 -78.57 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.19 -66.24 0.03 OUTLIER Glycine 0 CA--C 1.522 0.481 0 O-C-N 120.277 -1.514 . . . . 0.0 113.191 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -100.95 -42.09 6.55 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.357 1.063 . . . . 0.0 111.734 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -173.72 155.74 2.74 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.434 1.494 . . . . 0.0 108.54 -171.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -144.06 146.14 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.14 19.13 4.57 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.318 -0.864 . . . . 0.0 113.202 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.07 13.45 72.83 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.216 -1.325 . . . . 0.0 113.246 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -143.82 122.41 12.51 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.557 1.678 . . . . 0.0 111.681 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 140.12 48.67 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.816 -0.552 . . . . 0.0 111.223 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -145.9 138.78 25.81 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 122.716 0.406 . . . . 0.0 111.36 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -89.06 144.66 25.99 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.25 0.62 . . . . 0.0 110.865 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 C--O 1.268 2.041 0 C-N-CA 126.344 1.857 . . . . 0.0 111.063 176.837 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.06 105.7 5.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.61 -30.64 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.234 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.54 -179.38 7.28 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.957 0.903 . . . . 0.0 111.563 -174.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -62.81 -40.73 98.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.331 0.652 . . . . 0.0 111.688 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -20.73 62.05 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.88 -26.9 62.73 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.777 -1.202 . . . . 0.0 111.275 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.13 36.35 3.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 123.405 0.682 . . . . 0.0 109.944 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -52.3 -35.29 50.14 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.627 0.649 . . . . 0.0 112.16 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.47 -35.51 81.11 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.562 -0.711 . . . . 0.0 112.293 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.91 129.07 34.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.098 0.475 . . . . 0.0 110.436 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -46.8 -54.44 9.82 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.432 1.493 . . . . 0.0 113.733 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -149.11 7.51 0.71 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.848 1.259 . . . . 0.0 111.613 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.69 -162.58 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.754 0.659 . . . . 0.0 111.31 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -133.11 148.37 52.14 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.1 mm 46.21 79.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.13 1.772 . . . . 0.0 112.68 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.16 -94.24 0.1 OUTLIER Glycine 0 CA--C 1.524 0.642 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.574 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -89.36 -47.82 7.76 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.952 0.901 . . . . 0.0 110.345 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -171.39 166.9 6.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.98 0.912 . . . . 0.0 111.225 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.91 138.12 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.566 -0.709 . . . . 0.0 110.65 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.78 35.25 1.4 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.553 1.168 . . . . 0.0 112.558 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 28.37 73.72 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-O 118.199 -1.334 . . . . 0.0 113.621 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.47 130.13 21.48 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.909 1.855 . . . . 0.0 111.73 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 m -91.28 140.05 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.645 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -152.28 125.65 8.76 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 122.772 0.429 . . . . 0.0 110.103 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.07 143.0 57.6 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.841 0.456 . . . . 0.0 110.386 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 C--O 1.241 0.649 0 C-N-CA 124.012 0.925 . . . . 0.0 112.23 175.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -138.57 104.33 5.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.007 1.323 . . . . 0.0 108.588 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.0 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.904 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -69.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.664 0.786 . . . . 0.0 111.749 175.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -148.73 -43.51 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.787 0.835 . . . . 0.0 111.263 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.93 -30.74 64.27 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.356 0.662 . . . . 0.0 111.459 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.01 -13.68 28.19 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -114.38 27.77 9.23 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 110.325 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.4 m -56.07 -55.14 36.52 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.779 -1.201 . . . . 0.0 110.728 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.16 -28.17 69.87 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 124.077 0.86 . . . . 0.0 113.097 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.88 136.09 57.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.16 -50.96 14.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.885 0.874 . . . . 0.0 112.036 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -160.39 19.2 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.448 1.099 . . . . 0.0 111.841 -175.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.268 1.3 p-10 44.01 -156.9 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.644 0.778 . . . . 0.0 112.696 -170.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.6 -60.87 1.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.469 0.708 . . . . 0.0 111.934 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -133.81 70.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.916 0.865 . . . . 0.0 109.521 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.86 -77.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.981 1.553 . . . . 0.0 116.981 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 p -76.69 -64.97 1.0 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 119.709 -2.054 . . . . 0.0 108.946 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 t 179.53 172.24 0.94 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.072 0.949 . . . . 0.0 111.461 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.65 138.65 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.845 0.858 . . . . 0.0 109.979 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.329 47.5 m-20 43.52 40.55 2.86 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.966 1.365 . . . . 0.0 113.507 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.3 17.82 53.71 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.091 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -143.45 124.18 14.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.612 1.706 . . . . 0.0 111.068 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 142.3 32.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -142.33 129.03 20.4 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.478 0.711 . . . . 0.0 111.271 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.34 146.17 36.88 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.826 -1.559 . . . . 0.0 112.413 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.57 114.47 27.51 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.42 -38.38 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.551 0.614 . . . . 0.0 110.45 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 177.93 8.35 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.242 1.417 . . . . 0.0 111.449 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.18 -39.3 94.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.139 0.976 . . . . 0.0 112.079 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.68 -22.99 66.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.57 0.748 . . . . 0.0 111.301 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -25.52 63.88 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.248 -1.532 . . . . 0.0 110.969 173.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.256 86.5 m -115.65 37.65 3.53 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.919 0.887 . . . . 0.0 109.822 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -32.55 14.73 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.906 0.883 . . . . 0.0 112.676 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.21 -35.5 63.92 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.902 -0.499 . . . . 0.0 112.07 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.33 135.72 49.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.462 0.649 . . . . 0.0 109.649 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -50.45 -55.23 16.78 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.912 -174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -147.02 6.78 0.89 Allowed 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.193 0.997 . . . . 0.0 112.473 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 45.4 -160.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.8 1.24 . . . . 0.0 111.982 -169.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -146.13 147.02 31.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 121.202 -0.936 . . . . 0.0 110.817 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.8 mm 52.23 78.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.563 1.145 . . . . 0.0 111.894 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.61 -91.57 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-O 118.922 -0.932 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.1 m -97.99 -44.22 6.75 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.704 1.202 . . . . 0.0 111.719 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 p -176.51 170.23 2.51 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.824 1.25 . . . . 0.0 111.351 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 p -123.48 150.34 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.0 27.48 13.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.32 -0.863 . . . . 0.0 112.752 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.13 15.65 65.58 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-O 117.122 -1.932 . . . . 0.0 113.197 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -141.12 123.53 15.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.334 1.454 . . . . 0.0 111.503 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.17 146.92 53.44 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 120.733 -1.229 . . . . 0.0 112.064 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -149.67 121.41 8.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.206 0.602 . . . . 0.0 111.074 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 t -66.02 139.33 58.2 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.442 0.697 . . . . 0.0 111.21 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.968 1.707 . . . . 0.0 111.688 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.91 118.41 20.19 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.192 0.997 . . . . 0.0 111.617 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.04 -37.63 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.718 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -163.05 -179.81 6.98 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.023 1.329 . . . . 0.0 111.079 -171.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -65.59 -39.45 91.6 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.011 0.924 . . . . 0.0 112.276 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -57.59 -32.63 67.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.458 0.703 . . . . 0.0 111.339 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -20.05 55.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.873 0.869 . . . . 0.0 111.93 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 38.8 m -108.77 20.81 18.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.917 1.287 . . . . 0.0 112.777 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -59.22 -34.91 72.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.96 -21.17 63.23 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.959 -0.463 . . . . 0.0 111.788 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.69 138.39 31.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.669 0.788 . . . . 0.0 109.065 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 p -42.97 -51.04 5.77 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.623 1.169 . . . . 0.0 112.826 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.75 14.19 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.97 1.308 . . . . 0.0 112.752 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.305 6.6 t70 54.5 155.64 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.802 2.041 . . . . 0.0 114.904 -169.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -85.0 -25.94 27.39 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.088 -1.633 . . . . 0.0 112.258 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.65 88.1 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.269 0.941 . . . . 0.0 109.895 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.2 -99.28 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.854 -0.97 . . . . 0.0 112.115 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 m -90.54 -44.55 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 117.779 0.79 . . . . 0.0 111.773 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.02 161.07 36.54 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.745 1.218 . . . . 0.0 112.463 -172.791 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -107.62 115.74 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.21 1.004 . . . . 0.0 110.442 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 52.06 27.93 4.91 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.72 1.248 . . . . 0.0 112.924 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.16 66.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 118.312 -1.271 . . . . 0.0 113.475 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -132.29 129.08 39.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.428 1.614 . . . . 0.0 110.747 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -67.63 125.18 25.38 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.761 -0.587 . . . . 0.0 109.802 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -150.24 139.99 21.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.151 0.432 . . . . 0.0 110.656 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -98.95 145.64 26.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 117.494 -1.241 . . . . 0.0 109.529 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 C--O 1.254 1.294 0 CA-C-O 115.022 -2.418 . . . . 0.0 114.955 174.36 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.334 0.587 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.39 147.03 52.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.371 2.268 . . . . 0.0 106.019 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 -37.67 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.277 0.49 . . . . 0.0 110.96 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.576 HG22 ' H ' ' A' ' 5' ' ' HIS . 2.0 m -163.65 -177.81 5.41 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.217 1.007 . . . . 0.0 109.78 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.576 ' H ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER -60.05 -44.11 94.93 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.019 0.928 . . . . 0.0 112.77 177.206 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -51.8 -40.3 60.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.423 1.489 . . . . 0.0 111.392 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.2 -11.61 42.57 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.22 0.608 . . . . 0.0 112.251 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 m -136.91 30.51 2.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.091 1.356 . . . . 0.0 110.452 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -51.71 -27.91 13.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.011 0.924 . . . . 0.0 112.355 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.78 -28.72 67.65 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.284 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -76.63 137.63 39.59 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.014 0.926 . . . . 0.0 109.162 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 p -47.45 -48.41 26.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.765 0.826 . . . . 0.0 112.932 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -161.32 18.02 0.11 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.521 1.529 . . . . 0.0 111.815 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 60.17 170.09 0.08 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 123.145 1.45 . . . . 0.0 111.284 -169.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -26.34 65.75 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 125.999 1.719 . . . . 0.0 110.824 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mt -145.63 -60.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.561 0.744 . . . . 0.0 112.728 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.38 -26.76 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.259 -0.745 . . . . 0.0 114.589 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -136.64 -57.8 0.73 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 117.756 0.778 . . . . 0.0 110.27 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.2 t -177.81 159.83 1.44 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.453 1.101 . . . . 0.0 110.671 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.98 146.15 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 123.2 0.6 . . . . 0.0 110.344 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.307 75.0 m-20 50.42 32.53 6.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.744 1.259 . . . . 0.0 113.538 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.03 10.32 39.36 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.543 -1.699 . . . . 0.0 113.544 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -124.93 125.53 44.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 125.807 1.643 . . . . 0.0 110.174 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 119.8 30.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.208 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -147.83 135.06 20.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.014 1.325 . . . . 0.0 109.767 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.81 141.5 51.36 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.357 -0.84 . . . . 0.0 109.009 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 C--O 1.257 1.485 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.356 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.43 108.4 10.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.92 -32.59 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 123.577 0.548 . . . . 0.0 110.822 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.02 179.1 7.19 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.657 0.783 . . . . 0.0 110.859 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -57.85 -39.36 77.53 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 0.0 111.672 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -64.49 -29.51 70.55 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.215 1.006 . . . . 0.0 112.489 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.11 -5.73 29.0 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.979 -1.076 . . . . 0.0 112.092 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.96 26.7 9.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 125.505 1.522 . . . . 0.0 109.973 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -54.18 -27.22 32.6 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.186 0.903 . . . . 0.0 112.847 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -29.71 49.78 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.287 -0.883 . . . . 0.0 113.08 174.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.54 143.54 48.28 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 122.452 1.12 . . . . 0.0 110.506 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -51.74 19.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.047 -172.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -140.6 8.02 2.15 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.708 0.803 . . . . 0.0 111.852 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.55 4.0 p30 25.79 -147.62 0.0 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 126.591 1.956 . . . . 0.0 114.901 -163.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 m -99.93 -60.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 118.85 0.75 . . . . 0.0 111.266 -168.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 mt -134.17 81.98 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.1 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.824 1.202 . . . . 0.0 114.633 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -67.42 -63.65 1.02 Allowed 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -1.206 . . . . 0.0 109.991 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t 177.36 167.33 0.62 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.373 1.469 . . . . 0.0 110.735 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.25 152.47 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 57.39 13.67 1.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 23.58 69.93 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 117.586 -1.674 . . . . 0.0 113.193 -171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -141.17 128.61 21.23 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.741 1.771 . . . . 0.0 110.951 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.52 121.55 34.08 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -132.78 129.5 38.69 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 176.398 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.98 141.7 45.86 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 125.131 1.519 . . . . 0.0 110.694 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 O-C-N 125.153 1.533 . . . . 0.0 112.05 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.453 -0.784 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 116.18 26.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.879 1.218 . . . . 0.0 111.619 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -75.05 -34.55 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.562 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -176.26 1.52 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.928 0.891 . . . . 0.0 111.245 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -47.94 -40.23 21.52 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.694 1.198 . . . . 0.0 112.341 173.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.58 -38.52 78.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.218 1.407 . . . . 0.0 111.85 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.1 -17.89 64.85 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.891 -0.506 . . . . 0.0 111.681 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -117.71 31.69 6.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.272 1.429 . . . . 0.0 110.176 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 m -51.4 -43.2 61.87 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.349 -0.844 . . . . 0.0 110.443 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -65.4 -36.19 83.21 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.662 0.785 . . . . 0.0 113.077 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.15 139.76 52.47 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.936 0.398 . . . . 0.0 111.057 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.0 -57.14 8.46 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.373 0.669 . . . . 0.0 112.008 -174.095 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -146.89 19.93 1.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.663 0.785 . . . . 0.0 113.007 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.302 0.6 OUTLIER 45.32 -159.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.973 0.909 . . . . 0.0 112.196 -174.825 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -91.2 -51.0 5.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 118.631 -0.7 . . . . 0.0 112.592 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.49 -58.07 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.718 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.13 -13.8 0.02 OUTLIER Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -140.69 -43.44 0.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.187 -1.184 . . . . 0.0 111.728 170.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -172.67 152.93 2.64 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.12 0.968 . . . . 0.0 108.579 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.46 149.32 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 171.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 55.23 18.87 2.64 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.99 14.34 70.64 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.48 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -143.68 120.24 11.07 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.194 1.497 . . . . 0.0 111.241 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.43 142.87 48.65 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.217 -0.927 . . . . 0.0 111.572 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -150.88 120.86 7.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.061 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -73.08 137.83 45.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.097 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.3 ttm . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.828 -2.511 . . . . 0.0 113.314 -178.589 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.59 124.5 30.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.243 0.929 . . . . 0.0 110.012 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.47 -35.57 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -178.58 6.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.002 1.321 . . . . 0.0 110.942 -172.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.77 -37.72 88.42 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.183 0.993 . . . . 0.0 112.334 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.07 -30.8 69.46 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.287 0.635 . . . . 0.0 111.594 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.38 -11.18 49.99 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.9 m -112.76 25.95 10.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.329 1.451 . . . . 0.0 111.109 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.6 m -52.93 -30.08 32.39 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.112 0.869 . . . . 0.0 112.357 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.31 -30.48 48.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.391 0.676 . . . . 0.0 112.599 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 141.32 58.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.406 1.098 . . . . 0.0 109.676 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.06 -58.28 5.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.977 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -149.78 16.9 0.88 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.109 0.963 . . . . 0.0 112.35 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.314 2.0 p30 43.68 -163.19 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.898 1.679 . . . . 0.0 111.859 -170.216 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -132.89 18.64 4.16 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.703 -1.248 . . . . 0.0 112.975 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.6 -48.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.4 0.68 . . . . 0.0 111.202 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.76 -17.32 0.65 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 124.44 1.019 . . . . 0.0 113.353 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -158.5 -38.12 0.06 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.085 0.554 . . . . 0.0 111.836 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -167.66 158.15 10.91 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.666 0.787 . . . . 0.0 109.459 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.69 132.34 14.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 118.078 0.399 . . . . 0.0 109.992 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.64 23.02 3.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.97 0.891 . . . . 0.0 112.948 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.56 5.59 89.36 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.58 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -140.0 124.38 17.95 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.733 1.767 . . . . 0.0 110.702 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 134.66 51.24 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 119.909 -1.744 . . . . 0.0 110.46 178.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.1 mtpm? -130.99 124.64 31.4 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.93 -178.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -80.56 147.57 30.73 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.512 1.051 . . . . 0.0 109.4 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 C--O 1.259 1.575 0 CA-C-O 116.585 -1.674 . . . . 0.0 112.294 174.705 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.0 118.08 35.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.26 0.936 . . . . 0.0 109.409 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.38 -29.45 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 122.707 0.403 . . . . 0.0 110.675 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.84 -178.0 6.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.062 1.345 . . . . 0.0 111.15 -172.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.53 -41.74 79.48 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.18 -34.17 63.62 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.369 1.067 . . . . 0.0 111.19 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -62.43 -13.16 26.86 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -118.68 33.37 5.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.324 1.049 . . . . 0.0 110.165 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 m -56.69 -32.61 65.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.199 0.6 . . . . 0.0 112.085 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.4 -30.69 68.71 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.454 -0.779 . . . . 0.0 112.205 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.88 137.08 33.01 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.719 0.771 . . . . 0.0 110.768 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -53.87 45.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.027 0.931 . . . . 0.0 113.465 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -139.29 5.26 2.27 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.187 0.995 . . . . 0.0 111.958 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.94 -164.92 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.313 1.008 . . . . 0.0 110.277 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -111.72 130.59 55.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mm 61.79 -64.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.453 1.901 . . . . 0.0 113.788 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.6 -51.8 0.03 OUTLIER Glycine 0 C--O 1.226 -0.39 0 CA-C-N 119.079 0.854 . . . . 0.0 114.307 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.7 p -105.15 -53.03 2.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 117.658 0.729 . . . . 0.0 111.341 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -173.3 152.71 2.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.415 1.086 . . . . 0.0 109.266 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -139.34 147.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 51.29 24.41 2.06 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.18 65.53 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.831 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -143.75 123.63 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.52 1.66 . . . . 0.0 110.796 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.03 144.66 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.45 -0.781 . . . . 0.0 111.655 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -148.01 126.07 12.1 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.85 139.34 50.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.643 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.3 tmm? . . . . . 0 C--O 1.255 1.346 0 O-C-N 125.671 1.857 . . . . 0.0 111.33 179.422 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.69 160.46 30.71 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.537 1.135 . . . . 0.0 108.365 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -117.38 -47.2 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 122.501 0.32 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -159.88 -63.22 0.07 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.936 -0.478 . . . . 0.0 111.447 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -154.23 -43.87 0.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.948 0.499 . . . . 0.0 111.97 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.08 -33.5 69.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.154 0.582 . . . . 0.0 111.607 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.84 0.18 11.72 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.1 m -130.81 29.44 4.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.928 1.691 . . . . 0.0 110.429 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -52.39 -28.22 18.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.005 0.821 . . . . 0.0 112.561 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -21.69 34.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 120.892 -1.13 . . . . 0.0 113.543 176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.07 131.96 40.93 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.188 -0.945 . . . . 0.0 109.736 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -56.37 23.08 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.018 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.37 18.2 0.74 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.257 0.623 . . . . 0.0 111.632 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 58.46 172.89 0.06 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 123.234 1.492 . . . . 0.0 111.991 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -61.35 -30.37 70.48 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 119.403 -2.061 . . . . 0.0 109.11 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.58 -60.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.66 8.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.268 -175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.4 p -164.87 -53.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.672 1.236 . . . . 0.0 112.814 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 t -176.38 152.44 1.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.47 1.108 . . . . 0.0 109.634 -174.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.69 139.55 42.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 55.32 25.08 7.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.35 72.33 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.403 -1.436 . . . . 0.0 111.991 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.03 124.29 12.25 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.375 1.87 . . . . 0.0 110.342 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 124.57 32.04 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 120.515 -1.366 . . . . 0.0 109.624 178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -138.36 137.17 37.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.301 0.641 . . . . 0.0 110.354 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.23 136.99 39.27 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.234 0.614 . . . . 0.0 109.996 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.1 mtm . . . . . 0 C--O 1.262 1.755 0 C-N-CA 127.323 2.249 . . . . 0.0 109.146 175.753 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 159.3 15.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.711 0.687 . . . . 0.0 110.756 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.23 -32.59 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 122.707 0.403 . . . . 0.0 111.637 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.37 5.46 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.03 0.932 . . . . 0.0 110.803 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.96 -44.79 87.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.68 -39.83 62.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.208 1.403 . . . . 0.0 111.628 175.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.52 -9.31 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 111.857 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 m -138.49 28.55 2.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.617 1.567 . . . . 0.0 111.407 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.0 m -50.44 -29.72 10.93 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.046 0.839 . . . . 0.0 112.538 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.89 -31.03 66.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.265 0.626 . . . . 0.0 112.181 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -72.16 137.83 47.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.51 0.724 . . . . 0.0 109.91 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 p -46.24 -52.44 12.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.91 0.884 . . . . 0.0 112.159 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.3 38.18 0.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.472 1.109 . . . . 0.0 110.881 176.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.371 0.0 OUTLIER 49.76 -172.84 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.651 1.58 . . . . 0.0 114.343 -172.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -56.17 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.58 -1.325 . . . . 0.0 110.855 -176.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.56 -54.64 4.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.152 0.581 . . . . 0.0 111.199 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.5 -17.53 0.02 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.355 0.902 . . . . 0.0 115.355 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -156.89 -35.39 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.425 1.112 . . . . 0.0 110.838 168.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.4 t -170.7 150.94 3.38 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.067 0.947 . . . . 0.0 109.107 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.78 145.37 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.666 0.666 . . . . 0.0 109.565 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 52.47 28.82 6.29 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.216 1.008 . . . . 0.0 113.32 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.58 59.78 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 117.854 -1.526 . . . . 0.0 113.538 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -132.68 128.9 37.99 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.717 1.607 . . . . 0.0 109.717 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 118.75 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.108 -0.995 . . . . 0.0 110.344 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -146.97 132.83 19.04 Favored 'General case' 0 C--O 1.215 -0.716 0 C-N-CA 123.629 0.771 . . . . 0.0 111.234 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.6 133.61 43.53 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.116 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 C--O 1.248 1.025 0 O-C-N 124.278 0.986 . . . . 0.0 112.427 175.298 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.34 116.79 23.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.669 1.188 . . . . 0.0 109.388 -176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.1 -34.47 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.771 -0.581 . . . . 0.0 110.641 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.06 179.72 7.76 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.136 0.975 . . . . 0.0 110.899 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.6 p-80 -63.71 -44.51 93.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.269 1.028 . . . . 0.0 112.518 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.55 -31.45 62.15 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.789 0.835 . . . . 0.0 111.909 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.91 -23.68 33.01 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.46 0.704 . . . . 0.0 111.934 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 m -133.13 32.12 3.76 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.3 1.04 . . . . 0.0 110.866 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.1 m -46.87 -30.82 2.7 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.391 1.076 . . . . 0.0 112.519 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -57.4 -29.19 63.9 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 24' ' ' CYS . 75.0 mt -75.31 143.08 43.12 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.863 0.865 . . . . 0.0 109.49 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.5 p -47.02 -49.75 20.52 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.32 0.648 . . . . 0.0 112.275 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -156.94 14.09 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.019 1.328 . . . . 0.0 113.183 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.381 1.4 p30 45.65 -161.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.842 1.257 . . . . 0.0 112.067 -166.684 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 m -144.21 136.25 26.3 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.24 -0.913 . . . . 0.0 109.47 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm 49.46 84.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.032 1.733 . . . . 0.0 112.697 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.81 -86.52 0.1 OUTLIER Glycine 0 CA--C 1.525 0.662 0 CA-C-O 118.706 -1.052 . . . . 0.0 112.575 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 -34.06 6.23 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 125.033 1.078 . . . . 0.0 111.62 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 p 175.81 177.09 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.301 1.441 . . . . 0.0 111.778 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -122.75 141.84 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 109.353 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.21 18.85 3.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.511 0.724 . . . . 0.0 112.897 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.54 79.16 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 117.103 -1.943 . . . . 0.0 113.451 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -110.0 124.26 51.13 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.157 1.783 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.7 133.93 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.326 175.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 16.8 tptm -148.78 150.84 33.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.758 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t -105.18 141.87 35.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.985 0.914 . . . . 0.0 109.31 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 C--O 1.253 1.255 0 O-C-N 125.166 1.541 . . . . 0.0 111.698 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 155.91 17.97 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.814 0.734 . . . . 0.0 110.555 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.08 -32.69 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 123.535 0.522 . . . . 0.0 110.628 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.25 176.39 5.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.89 0.876 . . . . 0.0 110.458 -176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -53.26 -40.64 64.79 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.88 -42.16 71.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.571 1.148 . . . . 0.0 111.639 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.03 -2.89 19.99 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.576 0.75 . . . . 0.0 111.864 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.82 27.5 8.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.36 1.864 . . . . 0.0 110.274 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -54.75 -38.54 67.3 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.412 1.006 . . . . 0.0 113.663 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -26.69 68.06 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.56 -0.713 . . . . 0.0 111.724 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 26' ' ' CYS . 1.6 mm? -88.14 131.81 34.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.362 1.077 . . . . 0.0 109.105 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.7 p -49.12 -47.94 44.98 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.358 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 22.86 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.15 0.98 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.52 171.16 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.387 1.089 . . . . 0.0 111.923 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -7.43 59.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.414 -1.429 . . . . 0.0 110.878 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.22 -58.55 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.036 0.934 . . . . 0.0 113.111 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.78 -41.46 0.08 OUTLIER Glycine 0 N--CA 1.461 0.341 0 N-CA-C 116.844 1.498 . . . . 0.0 116.844 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -133.2 -39.28 0.93 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.137 0.969 . . . . 0.0 111.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -175.16 151.29 1.27 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.834 1.254 . . . . 0.0 108.39 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.15 144.54 25.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 54.98 20.19 3.06 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.31 17.24 74.06 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-O 117.9 -1.5 . . . . 0.0 112.755 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -146.13 122.14 10.72 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.509 1.654 . . . . 0.0 112.721 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 133.52 38.22 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.003 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -148.96 130.74 15.09 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.554 0.742 . . . . 0.0 110.141 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' H ' HD12 ' A' ' 11' ' ' LEU . 9.3 t -86.23 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.386 176.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 C--O 1.255 1.361 0 CA-C-O 115.445 -2.217 . . . . 0.0 115.653 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.41 104.01 7.94 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.16 -37.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.497 -0.287 . . . . 0.0 111.024 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -177.93 5.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.316 1.046 . . . . 0.0 111.198 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -61.89 -42.17 98.76 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.722 0.809 . . . . 0.0 111.931 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.29 -29.99 70.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.638 0.775 . . . . 0.0 111.859 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.43 -6.57 19.9 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 m -115.15 20.3 15.07 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.553 1.541 . . . . 0.0 111.042 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -58.24 -32.27 68.19 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.853 0.751 . . . . 0.0 112.987 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.75 -26.14 67.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.29 0.636 . . . . 0.0 111.591 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.53 138.21 31.9 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.8 0.809 . . . . 0.0 109.594 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 p -46.92 -49.3 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.305 1.042 . . . . 0.0 112.627 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -155.54 15.86 0.38 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.195 1.398 . . . . 0.0 111.836 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.51 3.9 p30 32.48 -149.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.729 1.612 . . . . 0.0 114.968 -162.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -91.49 -69.44 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.361 -0.837 . . . . 0.0 111.117 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.1 mt -133.35 84.43 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.635 0.731 . . . . 0.0 109.224 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.87 -87.9 0.01 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.435 1.017 . . . . 0.0 114.883 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -67.71 -62.66 1.31 Allowed 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.961 -1.317 . . . . 0.0 109.801 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 t 178.12 173.05 0.64 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.208 1.403 . . . . 0.0 111.216 -175.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -142.54 142.38 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.691 0.796 . . . . 0.0 109.904 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 47.58 32.29 2.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.629 1.204 . . . . 0.0 112.585 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 25.62 65.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.473 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -142.07 126.73 17.97 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.325 1.562 . . . . 0.0 110.465 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.89 131.23 39.51 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.391 -0.818 . . . . 0.0 110.307 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.01 130.88 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.146 0.978 . . . . 0.0 109.446 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 t -72.69 141.75 48.23 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.957 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 C--O 1.249 1.041 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.292 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 113.23 25.29 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -70.76 -38.63 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.473 0.578 . . . . 0.0 110.449 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.33 179.41 9.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.826 0.85 . . . . 0.0 111.415 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -61.26 -36.61 80.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.964 0.905 . . . . 0.0 112.404 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.42 -28.58 63.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.537 1.135 . . . . 0.0 110.771 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.67 -25.62 40.47 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.775 -1.203 . . . . 0.0 112.214 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 m -121.09 30.13 6.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.005 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -50.72 -32.16 18.69 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.744 0.818 . . . . 0.0 112.64 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.12 -30.05 70.14 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.602 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.54 140.64 37.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.4 p -42.84 -48.75 5.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.394 1.078 . . . . 0.0 113.181 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -153.9 16.94 0.5 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.772 1.229 . . . . 0.0 112.055 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.328 2.3 p30 40.78 -157.98 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.527 1.131 . . . . 0.0 113.245 -169.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.6 111.89 22.42 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.663 -0.648 . . . . 0.0 109.801 -172.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm 64.07 -56.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.84 2.056 . . . . 0.0 114.386 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.16 -23.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 119.234 0.925 . . . . 0.0 114.697 174.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -133.33 -54.96 0.91 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.543 0.737 . . . . 0.0 111.539 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t 179.92 146.7 0.24 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.149 1.379 . . . . 0.0 108.783 -170.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -137.26 141.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.426 0.557 . . . . 0.0 109.637 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 48.47 34.85 5.16 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 123.032 1.396 . . . . 0.0 113.622 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 21.3 63.53 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-O 118.049 -1.417 . . . . 0.0 112.971 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -141.61 127.06 18.81 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.232 1.516 . . . . 0.0 111.426 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 132.45 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.889 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -151.6 126.21 9.53 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.714 0.406 . . . . 0.0 111.418 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 t -62.56 143.51 57.15 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.601 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.257 1.451 0 O-C-N 124.557 1.161 . . . . 0.0 111.948 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 112.81 26.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.425 1.011 . . . . 0.0 109.556 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.37 -39.14 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.082 0.401 . . . . 0.0 110.656 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.65 -179.09 7.83 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.056 0.942 . . . . 0.0 111.058 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.54 -43.93 89.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.513 1.149 . . . . 0.0 111.489 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.65 -33.63 73.08 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.273 1.429 . . . . 0.0 111.612 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.6 -8.65 21.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.1 m -128.38 24.66 5.85 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.268 1.427 . . . . 0.0 111.129 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -49.39 -33.48 13.89 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.082 0.953 . . . . 0.0 112.771 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -58.09 -34.23 69.95 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.624 -0.672 . . . . 0.0 112.386 177.569 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 mt -76.21 141.13 41.88 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.793 0.837 . . . . 0.0 109.671 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -46.23 -45.21 16.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -152.52 8.34 0.45 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.68 1.192 . . . . 0.0 112.312 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.307 2.9 p30 42.74 -162.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.231 1.412 . . . . 0.0 112.61 -165.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 115.64 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.387 -0.821 . . . . 0.0 110.278 -171.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm 65.7 -60.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.714 2.005 . . . . 0.0 113.206 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.11 -34.02 0.02 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 118.105 -1.386 . . . . 0.0 113.256 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -130.62 -50.61 1.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.047 0.923 . . . . 0.0 112.118 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -176.48 152.68 1.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.04 0.936 . . . . 0.0 109.275 -171.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.11 148.7 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 118.373 0.533 . . . . 0.0 109.901 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 50.05 29.27 3.41 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.12 22.85 63.3 Favored Glycine 0 CA--C 1.526 0.767 0 O-C-N 120.678 -1.264 . . . . 0.0 113.342 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -142.6 125.72 16.36 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.012 1.406 . . . . 0.0 111.003 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.39 134.64 34.08 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.623 -0.673 . . . . 0.0 110.961 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -149.06 129.02 13.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.798 0.839 . . . . 0.0 110.903 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.71 141.95 56.47 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.024 -0.512 . . . . 0.0 110.073 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.854 176.146 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 120.41 41.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.236 0.926 . . . . 0.0 109.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.0 t -87.33 -29.61 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.043 0.537 . . . . 0.0 110.727 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -178.11 5.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.774 1.23 . . . . 0.0 110.826 -174.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -67.04 -38.92 86.74 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.02 -34.97 68.72 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.486 0.715 . . . . 0.0 111.504 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.35 -14.3 38.26 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.6 m -117.87 29.22 7.95 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.648 1.579 . . . . 0.0 110.905 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.9 m -48.73 -42.1 34.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.719 0.808 . . . . 0.0 111.449 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.52 -35.08 79.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.866 0.867 . . . . 0.0 112.494 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -72.11 146.63 47.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.723 1.249 . . . . 0.0 110.316 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.487 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.7 m -72.35 -56.37 5.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.894 -175.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -151.24 23.69 0.73 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 42.89 -153.86 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.293 1.037 . . . . 0.0 112.708 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -92.21 -43.85 9.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 117.548 -1.215 . . . . 0.0 113.498 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -115.8 -56.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 120.09 1.314 . . . . 0.0 111.065 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 13.4 0.03 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-O 118.747 -1.029 . . . . 0.0 113.855 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 p -163.59 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.961 1.304 . . . . 0.0 111.385 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -173.7 149.34 1.59 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.68 1.192 . . . . 0.0 109.872 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -143.1 143.48 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.16 0.584 . . . . 0.0 109.507 176.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 52.74 30.33 8.75 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.628 -1.295 . . . . 0.0 112.761 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 20.18 62.21 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.483 -1.176 . . . . 0.0 113.073 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -140.02 137.07 34.34 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.319 1.559 . . . . 0.0 109.661 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 138.85 31.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 120.429 -1.42 . . . . 0.0 109.388 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 26' ' ' CYS . 1.3 tmpt? -149.45 118.56 6.76 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.797 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -67.96 134.07 50.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 117.411 -1.281 . . . . 0.0 111.696 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp . . . . . 0 C--O 1.256 1.411 0 CA-C-O 114.716 -2.564 . . . . 0.0 113.623 178.361 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.84 114.07 24.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.215 0.916 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -82.56 -29.0 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.088 0.555 . . . . 0.0 111.326 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -177.68 5.31 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.661 1.184 . . . . 0.0 110.69 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.99 89.67 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.64 -34.82 67.67 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.774 0.83 . . . . 0.0 111.398 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.47 -9.41 25.49 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.929 0.492 . . . . 0.0 112.179 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.4 m -121.86 28.15 7.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.087 1.755 . . . . 0.0 110.925 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 m -52.08 -33.99 41.77 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.672 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -33.84 74.58 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.891 0.477 . . . . 0.0 112.15 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -76.34 136.58 39.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 122.408 1.099 . . . . 0.0 110.646 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -56.51 20.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.813 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -155.66 28.39 0.38 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.867 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 41.72 -161.73 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.204 1.402 . . . . 0.0 113.48 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -78.06 -67.82 0.69 Allowed 'General case' 0 C--N 1.333 -0.139 0 O-C-N 120.546 -1.346 . . . . 0.0 110.74 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.17 -76.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.235 0.925 . . . . 0.0 108.557 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.32 17.44 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.953 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -163.44 -60.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.045 1.338 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -171.74 154.06 3.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.427 1.491 . . . . 0.0 109.035 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.76 144.47 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.661 -0.649 . . . . 0.0 109.387 172.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 51.46 24.37 2.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.901 0.857 . . . . 0.0 113.261 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.96 21.05 75.15 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.334 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -141.8 129.39 21.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.319 1.848 . . . . 0.0 110.664 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 137.54 32.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.495 -1.378 . . . . 0.0 110.256 177.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -149.11 118.65 6.95 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.908 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' H ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -67.07 141.19 57.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.798 177.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 ptt? . . . . . 0 C--O 1.256 1.428 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 176.582 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 118.374 -0.822 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 114.06 20.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.295 0.952 . . . . 0.0 109.095 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -85.34 -27.82 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.308 0.643 . . . . 0.0 111.108 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 -176.89 5.95 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.412 1.085 . . . . 0.0 111.339 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -65.78 -45.7 81.48 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.163 0.985 . . . . 0.0 112.003 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.74 -29.86 68.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.635 0.374 . . . . 0.0 111.304 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -21.8 37.2 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.664 -0.647 . . . . 0.0 112.208 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.2 29.09 8.26 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 124.811 1.245 . . . . 0.0 110.81 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 m -54.58 -30.81 55.51 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.77 -31.44 68.22 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.082 -1.011 . . . . 0.0 111.636 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.19 139.68 35.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.27 1.033 . . . . 0.0 110.551 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -69.48 -50.17 47.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.839 -173.092 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -144.48 6.26 1.26 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.383 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER 53.26 -176.65 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.014 0.926 . . . . 0.0 111.837 -172.183 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 49.7 p -61.55 -80.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.958 1.303 . . . . 0.0 112.207 173.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.2 -74.19 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 119.995 -1.691 . . . . 0.0 110.107 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.14 -29.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.075 -0.847 . . . . 0.0 114.307 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 p -118.47 -55.29 2.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 117.96 0.88 . . . . 0.0 111.541 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -173.23 154.71 2.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.303 1.041 . . . . 0.0 108.798 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.56 147.61 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.624 0.647 . . . . 0.0 110.111 169.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.67 16.7 2.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.73 23.96 76.54 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.043 -0.865 . . . . 0.0 112.562 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -148.53 116.59 6.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.416 1.608 . . . . 0.0 110.644 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.16 143.36 41.21 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.609 -1.307 . . . . 0.0 111.453 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -151.03 122.91 8.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.986 0.514 . . . . 0.0 110.475 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 9.3 t -70.4 140.66 52.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.774 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 O-C-N 125.232 1.583 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 119.13 38.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.469 1.031 . . . . 0.0 108.919 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.48 -41.67 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -159.23 -176.48 5.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.224 1.409 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -59.17 -36.2 74.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.942 0.897 . . . . 0.0 112.346 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.74 -37.07 72.97 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.856 1.663 . . . . 0.0 111.306 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.91 -6.9 30.2 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 m -119.64 28.6 8.06 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.453 1.501 . . . . 0.0 110.664 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -51.95 -33.68 38.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.505 0.593 . . . . 0.0 112.539 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.91 -32.51 67.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.47 134.97 48.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 122.136 0.969 . . . . 0.0 109.428 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.3 -55.67 30.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.482 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -143.89 0.2 1.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.457 1.103 . . . . 0.0 111.951 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.97 158.99 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.806 -167.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -63.57 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 126.398 1.879 . . . . 0.0 115.294 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.68 -78.57 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.19 -66.24 0.03 OUTLIER Glycine 0 CA--C 1.522 0.481 0 O-C-N 120.277 -1.514 . . . . 0.0 113.191 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -100.95 -42.09 6.55 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.357 1.063 . . . . 0.0 111.734 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -173.72 155.74 2.74 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.434 1.494 . . . . 0.0 108.54 -171.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -144.06 146.14 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.14 19.13 4.57 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.318 -0.864 . . . . 0.0 113.202 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.07 13.45 72.83 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.216 -1.325 . . . . 0.0 113.246 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -143.82 122.41 12.51 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.557 1.678 . . . . 0.0 111.681 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 140.12 48.67 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.816 -0.552 . . . . 0.0 111.223 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -145.9 138.78 25.81 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 122.716 0.406 . . . . 0.0 111.36 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -89.06 144.66 25.99 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.25 0.62 . . . . 0.0 110.865 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 C--O 1.268 2.041 0 C-N-CA 126.344 1.857 . . . . 0.0 111.063 176.837 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.06 105.7 5.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.61 -30.64 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.234 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.54 -179.38 7.28 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.957 0.903 . . . . 0.0 111.563 -174.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -62.81 -40.73 98.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.331 0.652 . . . . 0.0 111.688 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -20.73 62.05 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.88 -26.9 62.73 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.777 -1.202 . . . . 0.0 111.275 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.13 36.35 3.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 123.405 0.682 . . . . 0.0 109.944 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -52.3 -35.29 50.14 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.627 0.649 . . . . 0.0 112.16 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.47 -35.51 81.11 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.562 -0.711 . . . . 0.0 112.293 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.91 129.07 34.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.098 0.475 . . . . 0.0 110.436 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -46.8 -54.44 9.82 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.432 1.493 . . . . 0.0 113.733 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -149.11 7.51 0.71 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.848 1.259 . . . . 0.0 111.613 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.69 -162.58 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.754 0.659 . . . . 0.0 111.31 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -133.11 148.37 52.14 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.1 mm 46.21 79.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.13 1.772 . . . . 0.0 112.68 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.16 -94.24 0.1 OUTLIER Glycine 0 CA--C 1.524 0.642 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.574 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -89.36 -47.82 7.76 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.952 0.901 . . . . 0.0 110.345 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -171.39 166.9 6.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.98 0.912 . . . . 0.0 111.225 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.91 138.12 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.566 -0.709 . . . . 0.0 110.65 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.78 35.25 1.4 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.553 1.168 . . . . 0.0 112.558 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 28.37 73.72 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-O 118.199 -1.334 . . . . 0.0 113.621 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.47 130.13 21.48 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.909 1.855 . . . . 0.0 111.73 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 m -91.28 140.05 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.645 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -152.28 125.65 8.76 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 122.772 0.429 . . . . 0.0 110.103 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.07 143.0 57.6 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.841 0.456 . . . . 0.0 110.386 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 C--O 1.241 0.649 0 C-N-CA 124.012 0.925 . . . . 0.0 112.23 175.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -138.57 104.33 5.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.007 1.323 . . . . 0.0 108.588 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.0 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.904 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -69.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.664 0.786 . . . . 0.0 111.749 175.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -148.73 -43.51 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.787 0.835 . . . . 0.0 111.263 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.93 -30.74 64.27 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.356 0.662 . . . . 0.0 111.459 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.01 -13.68 28.19 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -114.38 27.77 9.23 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 110.325 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.4 m -56.07 -55.14 36.52 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.779 -1.201 . . . . 0.0 110.728 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.16 -28.17 69.87 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 124.077 0.86 . . . . 0.0 113.097 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.88 136.09 57.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.16 -50.96 14.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.885 0.874 . . . . 0.0 112.036 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -160.39 19.2 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.448 1.099 . . . . 0.0 111.841 -175.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.268 1.3 p-10 44.01 -156.9 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.644 0.778 . . . . 0.0 112.696 -170.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.6 -60.87 1.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.469 0.708 . . . . 0.0 111.934 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -133.81 70.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.916 0.865 . . . . 0.0 109.521 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.86 -77.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.981 1.553 . . . . 0.0 116.981 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 p -76.69 -64.97 1.0 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 119.709 -2.054 . . . . 0.0 108.946 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 t 179.53 172.24 0.94 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.072 0.949 . . . . 0.0 111.461 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.65 138.65 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.845 0.858 . . . . 0.0 109.979 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.329 47.5 m-20 43.52 40.55 2.86 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.966 1.365 . . . . 0.0 113.507 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.3 17.82 53.71 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.091 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -143.45 124.18 14.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.612 1.706 . . . . 0.0 111.068 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 142.3 32.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -142.33 129.03 20.4 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.478 0.711 . . . . 0.0 111.271 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.34 146.17 36.88 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.826 -1.559 . . . . 0.0 112.413 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.57 114.47 27.51 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.42 -38.38 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.551 0.614 . . . . 0.0 110.45 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 177.93 8.35 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.242 1.417 . . . . 0.0 111.449 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.18 -39.3 94.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.139 0.976 . . . . 0.0 112.079 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.68 -22.99 66.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.57 0.748 . . . . 0.0 111.301 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -25.52 63.88 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.248 -1.532 . . . . 0.0 110.969 173.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.256 86.5 m -115.65 37.65 3.53 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.919 0.887 . . . . 0.0 109.822 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -32.55 14.73 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.906 0.883 . . . . 0.0 112.676 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.21 -35.5 63.92 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.902 -0.499 . . . . 0.0 112.07 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.33 135.72 49.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.462 0.649 . . . . 0.0 109.649 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -50.45 -55.23 16.78 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.912 -174.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -147.02 6.78 0.89 Allowed 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.193 0.997 . . . . 0.0 112.473 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 45.4 -160.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.8 1.24 . . . . 0.0 111.982 -169.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -146.13 147.02 31.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 121.202 -0.936 . . . . 0.0 110.817 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.8 mm 52.23 78.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.563 1.145 . . . . 0.0 111.894 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.61 -91.57 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-O 118.922 -0.932 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.1 m -97.99 -44.22 6.75 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.704 1.202 . . . . 0.0 111.719 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 p -176.51 170.23 2.51 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.824 1.25 . . . . 0.0 111.351 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 p -123.48 150.34 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.0 27.48 13.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.32 -0.863 . . . . 0.0 112.752 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.13 15.65 65.58 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-O 117.122 -1.932 . . . . 0.0 113.197 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -141.12 123.53 15.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.334 1.454 . . . . 0.0 111.503 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.17 146.92 53.44 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 120.733 -1.229 . . . . 0.0 112.064 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -149.67 121.41 8.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.206 0.602 . . . . 0.0 111.074 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 t -66.02 139.33 58.2 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.442 0.697 . . . . 0.0 111.21 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.968 1.707 . . . . 0.0 111.688 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.91 118.41 20.19 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.192 0.997 . . . . 0.0 111.617 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.04 -37.63 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.718 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -163.05 -179.81 6.98 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.023 1.329 . . . . 0.0 111.079 -171.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -65.59 -39.45 91.6 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.011 0.924 . . . . 0.0 112.276 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -57.59 -32.63 67.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.458 0.703 . . . . 0.0 111.339 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -20.05 55.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.873 0.869 . . . . 0.0 111.93 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 38.8 m -108.77 20.81 18.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.917 1.287 . . . . 0.0 112.777 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -59.22 -34.91 72.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.96 -21.17 63.23 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.959 -0.463 . . . . 0.0 111.788 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.69 138.39 31.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.669 0.788 . . . . 0.0 109.065 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 p -42.97 -51.04 5.77 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.623 1.169 . . . . 0.0 112.826 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.75 14.19 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.97 1.308 . . . . 0.0 112.752 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.305 6.6 t70 54.5 155.64 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.802 2.041 . . . . 0.0 114.904 -169.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -85.0 -25.94 27.39 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.088 -1.633 . . . . 0.0 112.258 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.65 88.1 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.269 0.941 . . . . 0.0 109.895 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.2 -99.28 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.854 -0.97 . . . . 0.0 112.115 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 m -90.54 -44.55 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 117.779 0.79 . . . . 0.0 111.773 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.02 161.07 36.54 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.745 1.218 . . . . 0.0 112.463 -172.791 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -107.62 115.74 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.21 1.004 . . . . 0.0 110.442 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 52.06 27.93 4.91 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.72 1.248 . . . . 0.0 112.924 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.16 66.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 118.312 -1.271 . . . . 0.0 113.475 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -132.29 129.08 39.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.428 1.614 . . . . 0.0 110.747 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -67.63 125.18 25.38 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.761 -0.587 . . . . 0.0 109.802 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -150.24 139.99 21.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.151 0.432 . . . . 0.0 110.656 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -98.95 145.64 26.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 117.494 -1.241 . . . . 0.0 109.529 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 C--O 1.254 1.294 0 CA-C-O 115.022 -2.418 . . . . 0.0 114.955 174.36 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.334 0.587 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.39 147.03 52.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.371 2.268 . . . . 0.0 106.019 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 -37.67 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.277 0.49 . . . . 0.0 110.96 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.576 HG22 ' H ' ' A' ' 5' ' ' HIS . 2.0 m -163.65 -177.81 5.41 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.217 1.007 . . . . 0.0 109.78 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.576 ' H ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER -60.05 -44.11 94.93 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.019 0.928 . . . . 0.0 112.77 177.206 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -51.8 -40.3 60.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.423 1.489 . . . . 0.0 111.392 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.2 -11.61 42.57 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.22 0.608 . . . . 0.0 112.251 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 m -136.91 30.51 2.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.091 1.356 . . . . 0.0 110.452 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -51.71 -27.91 13.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.011 0.924 . . . . 0.0 112.355 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD23 ' H ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.78 -28.72 67.65 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.284 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -76.63 137.63 39.59 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.014 0.926 . . . . 0.0 109.162 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 p -47.45 -48.41 26.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.765 0.826 . . . . 0.0 112.932 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -161.32 18.02 0.11 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.521 1.529 . . . . 0.0 111.815 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 60.17 170.09 0.08 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 123.145 1.45 . . . . 0.0 111.284 -169.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -26.34 65.75 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 125.999 1.719 . . . . 0.0 110.824 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mt -145.63 -60.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.561 0.744 . . . . 0.0 112.728 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.38 -26.76 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.259 -0.745 . . . . 0.0 114.589 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -136.64 -57.8 0.73 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 117.756 0.778 . . . . 0.0 110.27 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.2 t -177.81 159.83 1.44 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.453 1.101 . . . . 0.0 110.671 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.98 146.15 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 123.2 0.6 . . . . 0.0 110.344 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.307 75.0 m-20 50.42 32.53 6.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.744 1.259 . . . . 0.0 113.538 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.03 10.32 39.36 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.543 -1.699 . . . . 0.0 113.544 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -124.93 125.53 44.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 125.807 1.643 . . . . 0.0 110.174 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 119.8 30.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.208 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -147.83 135.06 20.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.014 1.325 . . . . 0.0 109.767 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.81 141.5 51.36 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.357 -0.84 . . . . 0.0 109.009 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 C--O 1.257 1.485 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.356 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.43 108.4 10.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.92 -32.59 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 123.577 0.548 . . . . 0.0 110.822 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.02 179.1 7.19 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.657 0.783 . . . . 0.0 110.859 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -57.85 -39.36 77.53 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 0.0 111.672 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -64.49 -29.51 70.55 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.215 1.006 . . . . 0.0 112.489 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.11 -5.73 29.0 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.979 -1.076 . . . . 0.0 112.092 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.96 26.7 9.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 125.505 1.522 . . . . 0.0 109.973 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -54.18 -27.22 32.6 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.186 0.903 . . . . 0.0 112.847 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -29.71 49.78 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.287 -0.883 . . . . 0.0 113.08 174.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.54 143.54 48.28 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 122.452 1.12 . . . . 0.0 110.506 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -51.74 19.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.047 -172.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -140.6 8.02 2.15 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.708 0.803 . . . . 0.0 111.852 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.55 4.0 p30 25.79 -147.62 0.0 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 126.591 1.956 . . . . 0.0 114.901 -163.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 m -99.93 -60.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 118.85 0.75 . . . . 0.0 111.266 -168.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 mt -134.17 81.98 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.1 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.824 1.202 . . . . 0.0 114.633 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -67.42 -63.65 1.02 Allowed 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -1.206 . . . . 0.0 109.991 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t 177.36 167.33 0.62 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.373 1.469 . . . . 0.0 110.735 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.25 152.47 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 57.39 13.67 1.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 23.58 69.93 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 117.586 -1.674 . . . . 0.0 113.193 -171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -141.17 128.61 21.23 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.741 1.771 . . . . 0.0 110.951 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.52 121.55 34.08 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -132.78 129.5 38.69 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 176.398 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.98 141.7 45.86 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 125.131 1.519 . . . . 0.0 110.694 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 O-C-N 125.153 1.533 . . . . 0.0 112.05 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.453 -0.784 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 116.18 26.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.879 1.218 . . . . 0.0 111.619 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -75.05 -34.55 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.562 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -176.26 1.52 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.928 0.891 . . . . 0.0 111.245 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -47.94 -40.23 21.52 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.694 1.198 . . . . 0.0 112.341 173.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.58 -38.52 78.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.218 1.407 . . . . 0.0 111.85 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.1 -17.89 64.85 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.891 -0.506 . . . . 0.0 111.681 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -117.71 31.69 6.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.272 1.429 . . . . 0.0 110.176 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 m -51.4 -43.2 61.87 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.349 -0.844 . . . . 0.0 110.443 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -65.4 -36.19 83.21 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.662 0.785 . . . . 0.0 113.077 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.15 139.76 52.47 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.936 0.398 . . . . 0.0 111.057 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.0 -57.14 8.46 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.373 0.669 . . . . 0.0 112.008 -174.095 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -146.89 19.93 1.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.663 0.785 . . . . 0.0 113.007 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.302 0.6 OUTLIER 45.32 -159.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.973 0.909 . . . . 0.0 112.196 -174.825 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -91.2 -51.0 5.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 118.631 -0.7 . . . . 0.0 112.592 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.49 -58.07 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.718 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.13 -13.8 0.02 OUTLIER Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -140.69 -43.44 0.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.187 -1.184 . . . . 0.0 111.728 170.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -172.67 152.93 2.64 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.12 0.968 . . . . 0.0 108.579 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.46 149.32 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 171.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 55.23 18.87 2.64 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.99 14.34 70.64 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.48 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -143.68 120.24 11.07 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.194 1.497 . . . . 0.0 111.241 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.43 142.87 48.65 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.217 -0.927 . . . . 0.0 111.572 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -150.88 120.86 7.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.061 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -73.08 137.83 45.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.097 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.3 ttm . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.828 -2.511 . . . . 0.0 113.314 -178.589 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.59 124.5 30.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.243 0.929 . . . . 0.0 110.012 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.47 -35.57 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -178.58 6.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.002 1.321 . . . . 0.0 110.942 -172.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.77 -37.72 88.42 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.183 0.993 . . . . 0.0 112.334 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.07 -30.8 69.46 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.287 0.635 . . . . 0.0 111.594 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.38 -11.18 49.99 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.9 m -112.76 25.95 10.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.329 1.451 . . . . 0.0 111.109 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.6 m -52.93 -30.08 32.39 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.112 0.869 . . . . 0.0 112.357 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.31 -30.48 48.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.391 0.676 . . . . 0.0 112.599 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 141.32 58.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.406 1.098 . . . . 0.0 109.676 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.06 -58.28 5.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.977 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -149.78 16.9 0.88 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.109 0.963 . . . . 0.0 112.35 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.314 2.0 p30 43.68 -163.19 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.898 1.679 . . . . 0.0 111.859 -170.216 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -132.89 18.64 4.16 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.703 -1.248 . . . . 0.0 112.975 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.6 -48.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.4 0.68 . . . . 0.0 111.202 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.76 -17.32 0.65 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 124.44 1.019 . . . . 0.0 113.353 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -158.5 -38.12 0.06 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.085 0.554 . . . . 0.0 111.836 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -167.66 158.15 10.91 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.666 0.787 . . . . 0.0 109.459 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.69 132.34 14.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 118.078 0.399 . . . . 0.0 109.992 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.64 23.02 3.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.97 0.891 . . . . 0.0 112.948 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.56 5.59 89.36 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.58 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -140.0 124.38 17.95 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.733 1.767 . . . . 0.0 110.702 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 134.66 51.24 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 119.909 -1.744 . . . . 0.0 110.46 178.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.1 mtpm? -130.99 124.64 31.4 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.93 -178.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -80.56 147.57 30.73 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.512 1.051 . . . . 0.0 109.4 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 C--O 1.259 1.575 0 CA-C-O 116.585 -1.674 . . . . 0.0 112.294 174.705 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.0 118.08 35.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.26 0.936 . . . . 0.0 109.409 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.38 -29.45 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 122.707 0.403 . . . . 0.0 110.675 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.84 -178.0 6.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.062 1.345 . . . . 0.0 111.15 -172.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.53 -41.74 79.48 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.18 -34.17 63.62 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.369 1.067 . . . . 0.0 111.19 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -62.43 -13.16 26.86 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -118.68 33.37 5.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.324 1.049 . . . . 0.0 110.165 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 m -56.69 -32.61 65.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.199 0.6 . . . . 0.0 112.085 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.4 -30.69 68.71 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.454 -0.779 . . . . 0.0 112.205 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.88 137.08 33.01 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.719 0.771 . . . . 0.0 110.768 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -53.87 45.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.027 0.931 . . . . 0.0 113.465 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -139.29 5.26 2.27 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.187 0.995 . . . . 0.0 111.958 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.94 -164.92 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.313 1.008 . . . . 0.0 110.277 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -111.72 130.59 55.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mm 61.79 -64.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.453 1.901 . . . . 0.0 113.788 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.6 -51.8 0.03 OUTLIER Glycine 0 C--O 1.226 -0.39 0 CA-C-N 119.079 0.854 . . . . 0.0 114.307 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.7 p -105.15 -53.03 2.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 117.658 0.729 . . . . 0.0 111.341 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -173.3 152.71 2.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.415 1.086 . . . . 0.0 109.266 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -139.34 147.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 51.29 24.41 2.06 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.18 65.53 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.831 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -143.75 123.63 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.52 1.66 . . . . 0.0 110.796 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.03 144.66 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.45 -0.781 . . . . 0.0 111.655 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -148.01 126.07 12.1 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.85 139.34 50.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.643 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.3 tmm? . . . . . 0 C--O 1.255 1.346 0 O-C-N 125.671 1.857 . . . . 0.0 111.33 179.422 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.69 160.46 30.71 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.537 1.135 . . . . 0.0 108.365 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -117.38 -47.2 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 122.501 0.32 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -159.88 -63.22 0.07 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.936 -0.478 . . . . 0.0 111.447 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -154.23 -43.87 0.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.948 0.499 . . . . 0.0 111.97 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.08 -33.5 69.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.154 0.582 . . . . 0.0 111.607 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.84 0.18 11.72 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.1 m -130.81 29.44 4.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.928 1.691 . . . . 0.0 110.429 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -52.39 -28.22 18.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.005 0.821 . . . . 0.0 112.561 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -21.69 34.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 120.892 -1.13 . . . . 0.0 113.543 176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.07 131.96 40.93 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.188 -0.945 . . . . 0.0 109.736 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -56.37 23.08 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.018 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.37 18.2 0.74 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.257 0.623 . . . . 0.0 111.632 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 58.46 172.89 0.06 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 123.234 1.492 . . . . 0.0 111.991 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -61.35 -30.37 70.48 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 119.403 -2.061 . . . . 0.0 109.11 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.58 -60.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.66 8.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.268 -175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.4 p -164.87 -53.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.672 1.236 . . . . 0.0 112.814 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 t -176.38 152.44 1.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.47 1.108 . . . . 0.0 109.634 -174.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.69 139.55 42.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 55.32 25.08 7.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.35 72.33 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.403 -1.436 . . . . 0.0 111.991 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.03 124.29 12.25 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.375 1.87 . . . . 0.0 110.342 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 124.57 32.04 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 120.515 -1.366 . . . . 0.0 109.624 178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -138.36 137.17 37.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.301 0.641 . . . . 0.0 110.354 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.23 136.99 39.27 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.234 0.614 . . . . 0.0 109.996 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.1 mtm . . . . . 0 C--O 1.262 1.755 0 C-N-CA 127.323 2.249 . . . . 0.0 109.146 175.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 159.3 15.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.711 0.687 . . . . 0.0 110.756 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.23 -32.59 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 122.707 0.403 . . . . 0.0 111.637 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.37 5.46 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.03 0.932 . . . . 0.0 110.803 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.96 -44.79 87.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.68 -39.83 62.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.208 1.403 . . . . 0.0 111.628 175.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.52 -9.31 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 111.857 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 m -138.49 28.55 2.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.617 1.567 . . . . 0.0 111.407 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.0 m -50.44 -29.72 10.93 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.046 0.839 . . . . 0.0 112.538 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.89 -31.03 66.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.265 0.626 . . . . 0.0 112.181 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -72.16 137.83 47.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.51 0.724 . . . . 0.0 109.91 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 p -46.24 -52.44 12.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.91 0.884 . . . . 0.0 112.159 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.3 38.18 0.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.472 1.109 . . . . 0.0 110.881 176.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.371 0.0 OUTLIER 49.76 -172.84 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.651 1.58 . . . . 0.0 114.343 -172.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -56.17 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.58 -1.325 . . . . 0.0 110.855 -176.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.56 -54.64 4.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.152 0.581 . . . . 0.0 111.199 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.5 -17.53 0.02 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.355 0.902 . . . . 0.0 115.355 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -156.89 -35.39 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.425 1.112 . . . . 0.0 110.838 168.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.4 t -170.7 150.94 3.38 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.067 0.947 . . . . 0.0 109.107 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.78 145.37 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.666 0.666 . . . . 0.0 109.565 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 52.47 28.82 6.29 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.216 1.008 . . . . 0.0 113.32 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.58 59.78 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 117.854 -1.526 . . . . 0.0 113.538 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -132.68 128.9 37.99 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.717 1.607 . . . . 0.0 109.717 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 118.75 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.108 -0.995 . . . . 0.0 110.344 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -146.97 132.83 19.04 Favored 'General case' 0 C--O 1.215 -0.716 0 C-N-CA 123.629 0.771 . . . . 0.0 111.234 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.6 133.61 43.53 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.116 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 C--O 1.248 1.025 0 O-C-N 124.278 0.986 . . . . 0.0 112.427 175.298 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.34 116.79 23.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.669 1.188 . . . . 0.0 109.388 -176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.1 -34.47 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.771 -0.581 . . . . 0.0 110.641 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.06 179.72 7.76 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.136 0.975 . . . . 0.0 110.899 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -63.71 -44.51 93.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.269 1.028 . . . . 0.0 112.518 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.55 -31.45 62.15 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.789 0.835 . . . . 0.0 111.909 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.91 -23.68 33.01 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.46 0.704 . . . . 0.0 111.934 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 m -133.13 32.12 3.76 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.3 1.04 . . . . 0.0 110.866 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.1 m -46.87 -30.82 2.7 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.391 1.076 . . . . 0.0 112.519 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -57.4 -29.19 63.9 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 24' ' ' CYS . 75.0 mt -75.31 143.08 43.12 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.863 0.865 . . . . 0.0 109.49 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.5 p -47.02 -49.75 20.52 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.32 0.648 . . . . 0.0 112.275 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -156.94 14.09 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.019 1.328 . . . . 0.0 113.183 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.381 1.4 p30 45.65 -161.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.842 1.257 . . . . 0.0 112.067 -166.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 m -144.21 136.25 26.3 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.24 -0.913 . . . . 0.0 109.47 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm 49.46 84.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.032 1.733 . . . . 0.0 112.697 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.81 -86.52 0.1 OUTLIER Glycine 0 CA--C 1.525 0.662 0 CA-C-O 118.706 -1.052 . . . . 0.0 112.575 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 -34.06 6.23 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 125.033 1.078 . . . . 0.0 111.62 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 p 175.81 177.09 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.301 1.441 . . . . 0.0 111.778 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -122.75 141.84 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 109.353 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.21 18.85 3.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.511 0.724 . . . . 0.0 112.897 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.54 79.16 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 117.103 -1.943 . . . . 0.0 113.451 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -110.0 124.26 51.13 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.157 1.783 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.7 133.93 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.326 175.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 16.8 tptm -148.78 150.84 33.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.758 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t -105.18 141.87 35.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.985 0.914 . . . . 0.0 109.31 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 C--O 1.253 1.255 0 O-C-N 125.166 1.541 . . . . 0.0 111.698 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 155.91 17.97 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.814 0.734 . . . . 0.0 110.555 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.08 -32.69 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 123.535 0.522 . . . . 0.0 110.628 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.25 176.39 5.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.89 0.876 . . . . 0.0 110.458 -176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -53.26 -40.64 64.79 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.88 -42.16 71.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.571 1.148 . . . . 0.0 111.639 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.03 -2.89 19.99 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.576 0.75 . . . . 0.0 111.864 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.82 27.5 8.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.36 1.864 . . . . 0.0 110.274 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -54.75 -38.54 67.3 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.412 1.006 . . . . 0.0 113.663 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -26.69 68.06 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.56 -0.713 . . . . 0.0 111.724 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 26' ' ' CYS . 1.6 mm? -88.14 131.81 34.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.362 1.077 . . . . 0.0 109.105 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.7 p -49.12 -47.94 44.98 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.358 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 22.86 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.15 0.98 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.52 171.16 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.387 1.089 . . . . 0.0 111.923 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -7.43 59.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.414 -1.429 . . . . 0.0 110.878 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.22 -58.55 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.036 0.934 . . . . 0.0 113.111 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.78 -41.46 0.08 OUTLIER Glycine 0 N--CA 1.461 0.341 0 N-CA-C 116.844 1.498 . . . . 0.0 116.844 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -133.2 -39.28 0.93 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.137 0.969 . . . . 0.0 111.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -175.16 151.29 1.27 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.834 1.254 . . . . 0.0 108.39 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.15 144.54 25.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 54.98 20.19 3.06 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.31 17.24 74.06 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-O 117.9 -1.5 . . . . 0.0 112.755 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -146.13 122.14 10.72 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.509 1.654 . . . . 0.0 112.721 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 133.52 38.22 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.003 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -148.96 130.74 15.09 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.554 0.742 . . . . 0.0 110.141 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.46 ' H ' HD12 ' A' ' 11' ' ' LEU . 9.3 t -86.23 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.386 176.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 C--O 1.255 1.361 0 CA-C-O 115.445 -2.217 . . . . 0.0 115.653 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.41 104.01 7.94 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.16 -37.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.497 -0.287 . . . . 0.0 111.024 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -177.93 5.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.316 1.046 . . . . 0.0 111.198 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -61.89 -42.17 98.76 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.722 0.809 . . . . 0.0 111.931 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.29 -29.99 70.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.638 0.775 . . . . 0.0 111.859 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.43 -6.57 19.9 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 m -115.15 20.3 15.07 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.553 1.541 . . . . 0.0 111.042 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -58.24 -32.27 68.19 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.853 0.751 . . . . 0.0 112.987 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.75 -26.14 67.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.29 0.636 . . . . 0.0 111.591 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.53 138.21 31.9 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.8 0.809 . . . . 0.0 109.594 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 p -46.92 -49.3 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.305 1.042 . . . . 0.0 112.627 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -155.54 15.86 0.38 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.195 1.398 . . . . 0.0 111.836 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.51 3.9 p30 32.48 -149.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.729 1.612 . . . . 0.0 114.968 -162.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -91.49 -69.44 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.361 -0.837 . . . . 0.0 111.117 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.1 mt -133.35 84.43 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.635 0.731 . . . . 0.0 109.224 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.87 -87.9 0.01 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.435 1.017 . . . . 0.0 114.883 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -67.71 -62.66 1.31 Allowed 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.961 -1.317 . . . . 0.0 109.801 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 t 178.12 173.05 0.64 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.208 1.403 . . . . 0.0 111.216 -175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -142.54 142.38 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.691 0.796 . . . . 0.0 109.904 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 47.58 32.29 2.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.629 1.204 . . . . 0.0 112.585 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 25.62 65.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.473 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -142.07 126.73 17.97 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.325 1.562 . . . . 0.0 110.465 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.89 131.23 39.51 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.391 -0.818 . . . . 0.0 110.307 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.01 130.88 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.146 0.978 . . . . 0.0 109.446 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 t -72.69 141.75 48.23 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.957 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 C--O 1.249 1.041 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.292 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 113.23 25.29 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -70.76 -38.63 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.473 0.578 . . . . 0.0 110.449 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.33 179.41 9.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.826 0.85 . . . . 0.0 111.415 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -61.26 -36.61 80.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.964 0.905 . . . . 0.0 112.404 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.42 -28.58 63.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.537 1.135 . . . . 0.0 110.771 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.67 -25.62 40.47 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.775 -1.203 . . . . 0.0 112.214 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 m -121.09 30.13 6.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.005 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -50.72 -32.16 18.69 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.744 0.818 . . . . 0.0 112.64 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.12 -30.05 70.14 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.54 140.64 37.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.4 p -42.84 -48.75 5.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.394 1.078 . . . . 0.0 113.181 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -153.9 16.94 0.5 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.772 1.229 . . . . 0.0 112.055 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.328 2.3 p30 40.78 -157.98 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.527 1.131 . . . . 0.0 113.245 -169.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.6 111.89 22.42 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.663 -0.648 . . . . 0.0 109.801 -172.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm 64.07 -56.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.84 2.056 . . . . 0.0 114.386 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.16 -23.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 119.234 0.925 . . . . 0.0 114.697 174.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -133.33 -54.96 0.91 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.543 0.737 . . . . 0.0 111.539 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t 179.92 146.7 0.24 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.149 1.379 . . . . 0.0 108.783 -170.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -137.26 141.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.426 0.557 . . . . 0.0 109.637 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 48.47 34.85 5.16 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 123.032 1.396 . . . . 0.0 113.622 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 21.3 63.53 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-O 118.049 -1.417 . . . . 0.0 112.971 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -141.61 127.06 18.81 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.232 1.516 . . . . 0.0 111.426 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 132.45 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.889 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -151.6 126.21 9.53 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.714 0.406 . . . . 0.0 111.418 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 t -62.56 143.51 57.15 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.601 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.257 1.451 0 O-C-N 124.557 1.161 . . . . 0.0 111.948 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 112.81 26.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.425 1.011 . . . . 0.0 109.556 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.37 -39.14 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.082 0.401 . . . . 0.0 110.656 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.65 -179.09 7.83 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.056 0.942 . . . . 0.0 111.058 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.54 -43.93 89.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.513 1.149 . . . . 0.0 111.489 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.65 -33.63 73.08 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.273 1.429 . . . . 0.0 111.612 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.6 -8.65 21.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.1 m -128.38 24.66 5.85 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.268 1.427 . . . . 0.0 111.129 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -49.39 -33.48 13.89 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.082 0.953 . . . . 0.0 112.771 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -58.09 -34.23 69.95 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.624 -0.672 . . . . 0.0 112.386 177.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 mt -76.21 141.13 41.88 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.793 0.837 . . . . 0.0 109.671 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -46.23 -45.21 16.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -152.52 8.34 0.45 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.68 1.192 . . . . 0.0 112.312 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.307 2.9 p30 42.74 -162.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.231 1.412 . . . . 0.0 112.61 -165.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 115.64 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.387 -0.821 . . . . 0.0 110.278 -171.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm 65.7 -60.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.714 2.005 . . . . 0.0 113.206 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.11 -34.02 0.02 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 118.105 -1.386 . . . . 0.0 113.256 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -130.62 -50.61 1.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.047 0.923 . . . . 0.0 112.118 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -176.48 152.68 1.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.04 0.936 . . . . 0.0 109.275 -171.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.11 148.7 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 118.373 0.533 . . . . 0.0 109.901 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 50.05 29.27 3.41 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.12 22.85 63.3 Favored Glycine 0 CA--C 1.526 0.767 0 O-C-N 120.678 -1.264 . . . . 0.0 113.342 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -142.6 125.72 16.36 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.012 1.406 . . . . 0.0 111.003 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.39 134.64 34.08 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.623 -0.673 . . . . 0.0 110.961 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -149.06 129.02 13.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.798 0.839 . . . . 0.0 110.903 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.71 141.95 56.47 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.024 -0.512 . . . . 0.0 110.073 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.854 176.146 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 120.41 41.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.236 0.926 . . . . 0.0 109.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.0 t -87.33 -29.61 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.043 0.537 . . . . 0.0 110.727 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -178.11 5.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.774 1.23 . . . . 0.0 110.826 -174.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -67.04 -38.92 86.74 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.02 -34.97 68.72 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.486 0.715 . . . . 0.0 111.504 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.35 -14.3 38.26 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.6 m -117.87 29.22 7.95 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.648 1.579 . . . . 0.0 110.905 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.9 m -48.73 -42.1 34.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.719 0.808 . . . . 0.0 111.449 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.52 -35.08 79.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.866 0.867 . . . . 0.0 112.494 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -72.11 146.63 47.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.723 1.249 . . . . 0.0 110.316 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.487 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.7 m -72.35 -56.37 5.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.894 -175.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -151.24 23.69 0.73 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 42.89 -153.86 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.293 1.037 . . . . 0.0 112.708 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -92.21 -43.85 9.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 117.548 -1.215 . . . . 0.0 113.498 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -115.8 -56.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 120.09 1.314 . . . . 0.0 111.065 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 13.4 0.03 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-O 118.747 -1.029 . . . . 0.0 113.855 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 p -163.59 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.961 1.304 . . . . 0.0 111.385 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -173.7 149.34 1.59 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.68 1.192 . . . . 0.0 109.872 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -143.1 143.48 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.16 0.584 . . . . 0.0 109.507 176.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 52.74 30.33 8.75 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.628 -1.295 . . . . 0.0 112.761 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 20.18 62.21 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.483 -1.176 . . . . 0.0 113.073 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -140.02 137.07 34.34 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.319 1.559 . . . . 0.0 109.661 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 138.85 31.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 120.429 -1.42 . . . . 0.0 109.388 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 26' ' ' CYS . 1.3 tmpt? -149.45 118.56 6.76 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.797 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -67.96 134.07 50.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 117.411 -1.281 . . . . 0.0 111.696 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp . . . . . 0 C--O 1.256 1.411 0 CA-C-O 114.716 -2.564 . . . . 0.0 113.623 178.361 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.84 114.07 24.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.215 0.916 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -82.56 -29.0 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.088 0.555 . . . . 0.0 111.326 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -177.68 5.31 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.661 1.184 . . . . 0.0 110.69 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.99 89.67 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.64 -34.82 67.67 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.774 0.83 . . . . 0.0 111.398 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.47 -9.41 25.49 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.929 0.492 . . . . 0.0 112.179 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.4 m -121.86 28.15 7.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.087 1.755 . . . . 0.0 110.925 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 m -52.08 -33.99 41.77 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.672 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -33.84 74.58 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.891 0.477 . . . . 0.0 112.15 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -76.34 136.58 39.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 122.408 1.099 . . . . 0.0 110.646 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -56.51 20.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.813 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -155.66 28.39 0.38 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.867 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 41.72 -161.73 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.204 1.402 . . . . 0.0 113.48 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -78.06 -67.82 0.69 Allowed 'General case' 0 C--N 1.333 -0.139 0 O-C-N 120.546 -1.346 . . . . 0.0 110.74 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.17 -76.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.235 0.925 . . . . 0.0 108.557 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.32 17.44 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.953 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -163.44 -60.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.045 1.338 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -171.74 154.06 3.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.427 1.491 . . . . 0.0 109.035 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.76 144.47 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.661 -0.649 . . . . 0.0 109.387 172.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 51.46 24.37 2.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.901 0.857 . . . . 0.0 113.261 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.96 21.05 75.15 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.334 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -141.8 129.39 21.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.319 1.848 . . . . 0.0 110.664 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 137.54 32.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.495 -1.378 . . . . 0.0 110.256 177.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -149.11 118.65 6.95 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.908 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.41 ' H ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -67.07 141.19 57.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.798 177.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 ptt? . . . . . 0 C--O 1.256 1.428 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 176.582 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 118.374 -0.822 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 114.06 20.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.295 0.952 . . . . 0.0 109.095 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -85.34 -27.82 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.308 0.643 . . . . 0.0 111.108 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 -176.89 5.95 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.412 1.085 . . . . 0.0 111.339 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -65.78 -45.7 81.48 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.163 0.985 . . . . 0.0 112.003 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.74 -29.86 68.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.635 0.374 . . . . 0.0 111.304 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -21.8 37.2 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.664 -0.647 . . . . 0.0 112.208 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.2 29.09 8.26 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 124.811 1.245 . . . . 0.0 110.81 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 m -54.58 -30.81 55.51 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.77 -31.44 68.22 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.082 -1.011 . . . . 0.0 111.636 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.19 139.68 35.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.27 1.033 . . . . 0.0 110.551 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -69.48 -50.17 47.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.839 -173.092 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -144.48 6.26 1.26 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.383 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER 53.26 -176.65 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.014 0.926 . . . . 0.0 111.837 -172.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 49.7 p -61.55 -80.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.958 1.303 . . . . 0.0 112.207 173.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.2 -74.19 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 119.995 -1.691 . . . . 0.0 110.107 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.14 -29.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.075 -0.847 . . . . 0.0 114.307 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 p -118.47 -55.29 2.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 117.96 0.88 . . . . 0.0 111.541 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -173.23 154.71 2.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.303 1.041 . . . . 0.0 108.798 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.56 147.61 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.624 0.647 . . . . 0.0 110.111 169.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.67 16.7 2.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.73 23.96 76.54 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.043 -0.865 . . . . 0.0 112.562 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -148.53 116.59 6.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.416 1.608 . . . . 0.0 110.644 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.16 143.36 41.21 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.609 -1.307 . . . . 0.0 111.453 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -151.03 122.91 8.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.986 0.514 . . . . 0.0 110.475 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 9.3 t -70.4 140.66 52.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.774 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 O-C-N 125.232 1.583 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 119.13 38.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.469 1.031 . . . . 0.0 108.919 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.48 -41.67 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -159.23 -176.48 5.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.224 1.409 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -59.17 -36.2 74.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.942 0.897 . . . . 0.0 112.346 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.74 -37.07 72.97 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.856 1.663 . . . . 0.0 111.306 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.91 -6.9 30.2 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 m -119.64 28.6 8.06 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.453 1.501 . . . . 0.0 110.664 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -51.95 -33.68 38.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.505 0.593 . . . . 0.0 112.539 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.91 -32.51 67.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.47 134.97 48.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 122.136 0.969 . . . . 0.0 109.428 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.3 -55.67 30.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.482 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -143.89 0.2 1.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.457 1.103 . . . . 0.0 111.951 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.97 158.99 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.806 -167.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -63.57 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 126.398 1.879 . . . . 0.0 115.294 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.68 -78.57 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.19 -66.24 0.03 OUTLIER Glycine 0 CA--C 1.522 0.481 0 O-C-N 120.277 -1.514 . . . . 0.0 113.191 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -100.95 -42.09 6.55 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.357 1.063 . . . . 0.0 111.734 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -173.72 155.74 2.74 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.434 1.494 . . . . 0.0 108.54 -171.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -144.06 146.14 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.14 19.13 4.57 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.318 -0.864 . . . . 0.0 113.202 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.07 13.45 72.83 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.216 -1.325 . . . . 0.0 113.246 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -143.82 122.41 12.51 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.557 1.678 . . . . 0.0 111.681 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 140.12 48.67 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.816 -0.552 . . . . 0.0 111.223 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -145.9 138.78 25.81 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 122.716 0.406 . . . . 0.0 111.36 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -89.06 144.66 25.99 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.25 0.62 . . . . 0.0 110.865 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 C--O 1.268 2.041 0 C-N-CA 126.344 1.857 . . . . 0.0 111.063 176.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.06 105.7 5.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.61 -30.64 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.234 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.54 -179.38 7.28 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.957 0.903 . . . . 0.0 111.563 -174.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -62.81 -40.73 98.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.331 0.652 . . . . 0.0 111.688 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -20.73 62.05 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.88 -26.9 62.73 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.777 -1.202 . . . . 0.0 111.275 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.13 36.35 3.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 123.405 0.682 . . . . 0.0 109.944 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -52.3 -35.29 50.14 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.627 0.649 . . . . 0.0 112.16 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.47 -35.51 81.11 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.562 -0.711 . . . . 0.0 112.293 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.91 129.07 34.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.098 0.475 . . . . 0.0 110.436 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -46.8 -54.44 9.82 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.432 1.493 . . . . 0.0 113.733 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -149.11 7.51 0.71 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.848 1.259 . . . . 0.0 111.613 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.69 -162.58 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.754 0.659 . . . . 0.0 111.31 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -133.11 148.37 52.14 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.1 mm 46.21 79.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.13 1.772 . . . . 0.0 112.68 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.16 -94.24 0.1 OUTLIER Glycine 0 CA--C 1.524 0.642 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.574 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -89.36 -47.82 7.76 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.952 0.901 . . . . 0.0 110.345 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -171.39 166.9 6.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.98 0.912 . . . . 0.0 111.225 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.91 138.12 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.566 -0.709 . . . . 0.0 110.65 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.78 35.25 1.4 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.553 1.168 . . . . 0.0 112.558 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 28.37 73.72 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-O 118.199 -1.334 . . . . 0.0 113.621 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.47 130.13 21.48 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.909 1.855 . . . . 0.0 111.73 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 m -91.28 140.05 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.645 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -152.28 125.65 8.76 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 122.772 0.429 . . . . 0.0 110.103 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.07 143.0 57.6 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.841 0.456 . . . . 0.0 110.386 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 C--O 1.241 0.649 0 C-N-CA 124.012 0.925 . . . . 0.0 112.23 175.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -138.57 104.33 5.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.007 1.323 . . . . 0.0 108.588 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.0 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.904 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -69.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.664 0.786 . . . . 0.0 111.749 175.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -148.73 -43.51 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.787 0.835 . . . . 0.0 111.263 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.93 -30.74 64.27 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.356 0.662 . . . . 0.0 111.459 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.01 -13.68 28.19 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -114.38 27.77 9.23 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 110.325 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.4 m -56.07 -55.14 36.52 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.779 -1.201 . . . . 0.0 110.728 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.16 -28.17 69.87 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 124.077 0.86 . . . . 0.0 113.097 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.88 136.09 57.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.16 -50.96 14.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.885 0.874 . . . . 0.0 112.036 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -160.39 19.2 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.448 1.099 . . . . 0.0 111.841 -175.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.268 1.3 p-10 44.01 -156.9 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.644 0.778 . . . . 0.0 112.696 -170.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.6 -60.87 1.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.469 0.708 . . . . 0.0 111.934 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -133.81 70.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.916 0.865 . . . . 0.0 109.521 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.86 -77.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.981 1.553 . . . . 0.0 116.981 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 p -76.69 -64.97 1.0 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 119.709 -2.054 . . . . 0.0 108.946 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 t 179.53 172.24 0.94 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.072 0.949 . . . . 0.0 111.461 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.65 138.65 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.845 0.858 . . . . 0.0 109.979 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.329 47.5 m-20 43.52 40.55 2.86 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.966 1.365 . . . . 0.0 113.507 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.3 17.82 53.71 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.091 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -143.45 124.18 14.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.612 1.706 . . . . 0.0 111.068 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 142.3 32.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -142.33 129.03 20.4 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.478 0.711 . . . . 0.0 111.271 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.34 146.17 36.88 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.826 -1.559 . . . . 0.0 112.413 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.57 114.47 27.51 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.42 -38.38 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.551 0.614 . . . . 0.0 110.45 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 177.93 8.35 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.242 1.417 . . . . 0.0 111.449 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.18 -39.3 94.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.139 0.976 . . . . 0.0 112.079 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.68 -22.99 66.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.57 0.748 . . . . 0.0 111.301 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -25.52 63.88 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.248 -1.532 . . . . 0.0 110.969 173.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.256 86.5 m -115.65 37.65 3.53 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.919 0.887 . . . . 0.0 109.822 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -32.55 14.73 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.906 0.883 . . . . 0.0 112.676 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.21 -35.5 63.92 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.902 -0.499 . . . . 0.0 112.07 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.33 135.72 49.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.462 0.649 . . . . 0.0 109.649 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -50.45 -55.23 16.78 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.912 -174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -147.02 6.78 0.89 Allowed 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.193 0.997 . . . . 0.0 112.473 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 45.4 -160.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.8 1.24 . . . . 0.0 111.982 -169.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -146.13 147.02 31.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 121.202 -0.936 . . . . 0.0 110.817 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.8 mm 52.23 78.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.563 1.145 . . . . 0.0 111.894 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.61 -91.57 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-O 118.922 -0.932 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.1 m -97.99 -44.22 6.75 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.704 1.202 . . . . 0.0 111.719 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 p -176.51 170.23 2.51 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.824 1.25 . . . . 0.0 111.351 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 p -123.48 150.34 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.0 27.48 13.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.32 -0.863 . . . . 0.0 112.752 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.13 15.65 65.58 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-O 117.122 -1.932 . . . . 0.0 113.197 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -141.12 123.53 15.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.334 1.454 . . . . 0.0 111.503 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.17 146.92 53.44 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 120.733 -1.229 . . . . 0.0 112.064 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -149.67 121.41 8.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.206 0.602 . . . . 0.0 111.074 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 t -66.02 139.33 58.2 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.442 0.697 . . . . 0.0 111.21 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.968 1.707 . . . . 0.0 111.688 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.91 118.41 20.19 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.192 0.997 . . . . 0.0 111.617 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.04 -37.63 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.718 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -163.05 -179.81 6.98 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.023 1.329 . . . . 0.0 111.079 -171.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -65.59 -39.45 91.6 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.011 0.924 . . . . 0.0 112.276 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -57.59 -32.63 67.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.458 0.703 . . . . 0.0 111.339 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -20.05 55.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.873 0.869 . . . . 0.0 111.93 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 38.8 m -108.77 20.81 18.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.917 1.287 . . . . 0.0 112.777 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -59.22 -34.91 72.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.96 -21.17 63.23 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.959 -0.463 . . . . 0.0 111.788 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.69 138.39 31.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.669 0.788 . . . . 0.0 109.065 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 p -42.97 -51.04 5.77 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.623 1.169 . . . . 0.0 112.826 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.75 14.19 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.97 1.308 . . . . 0.0 112.752 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.305 6.6 t70 54.5 155.64 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.802 2.041 . . . . 0.0 114.904 -169.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -85.0 -25.94 27.39 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.088 -1.633 . . . . 0.0 112.258 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.65 88.1 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.269 0.941 . . . . 0.0 109.895 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.2 -99.28 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.854 -0.97 . . . . 0.0 112.115 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 m -90.54 -44.55 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 117.779 0.79 . . . . 0.0 111.773 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.02 161.07 36.54 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.745 1.218 . . . . 0.0 112.463 -172.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -107.62 115.74 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.21 1.004 . . . . 0.0 110.442 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 52.06 27.93 4.91 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.72 1.248 . . . . 0.0 112.924 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.16 66.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 118.312 -1.271 . . . . 0.0 113.475 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -132.29 129.08 39.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.428 1.614 . . . . 0.0 110.747 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -67.63 125.18 25.38 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.761 -0.587 . . . . 0.0 109.802 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -150.24 139.99 21.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.151 0.432 . . . . 0.0 110.656 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -98.95 145.64 26.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 117.494 -1.241 . . . . 0.0 109.529 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 C--O 1.254 1.294 0 CA-C-O 115.022 -2.418 . . . . 0.0 114.955 174.36 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.334 0.587 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.39 147.03 52.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.371 2.268 . . . . 0.0 106.019 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 -37.67 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.277 0.49 . . . . 0.0 110.96 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.576 HG22 ' H ' ' A' ' 5' ' ' HIS . 2.0 m -163.65 -177.81 5.41 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.217 1.007 . . . . 0.0 109.78 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.576 ' H ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER -60.05 -44.11 94.93 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.019 0.928 . . . . 0.0 112.77 177.206 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -51.8 -40.3 60.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.423 1.489 . . . . 0.0 111.392 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.2 -11.61 42.57 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.22 0.608 . . . . 0.0 112.251 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 m -136.91 30.51 2.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.091 1.356 . . . . 0.0 110.452 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -51.71 -27.91 13.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.011 0.924 . . . . 0.0 112.355 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.78 -28.72 67.65 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -76.63 137.63 39.59 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.014 0.926 . . . . 0.0 109.162 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 p -47.45 -48.41 26.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.765 0.826 . . . . 0.0 112.932 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -161.32 18.02 0.11 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.521 1.529 . . . . 0.0 111.815 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 60.17 170.09 0.08 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 123.145 1.45 . . . . 0.0 111.284 -169.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -26.34 65.75 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 125.999 1.719 . . . . 0.0 110.824 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mt -145.63 -60.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.561 0.744 . . . . 0.0 112.728 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.38 -26.76 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.259 -0.745 . . . . 0.0 114.589 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -136.64 -57.8 0.73 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 117.756 0.778 . . . . 0.0 110.27 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.2 t -177.81 159.83 1.44 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.453 1.101 . . . . 0.0 110.671 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.98 146.15 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 123.2 0.6 . . . . 0.0 110.344 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.307 75.0 m-20 50.42 32.53 6.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.744 1.259 . . . . 0.0 113.538 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.03 10.32 39.36 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.543 -1.699 . . . . 0.0 113.544 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -124.93 125.53 44.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 125.807 1.643 . . . . 0.0 110.174 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 119.8 30.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.208 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -147.83 135.06 20.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.014 1.325 . . . . 0.0 109.767 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.81 141.5 51.36 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.357 -0.84 . . . . 0.0 109.009 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 C--O 1.257 1.485 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.356 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.43 108.4 10.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.92 -32.59 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 123.577 0.548 . . . . 0.0 110.822 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.02 179.1 7.19 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.657 0.783 . . . . 0.0 110.859 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -57.85 -39.36 77.53 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 0.0 111.672 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -64.49 -29.51 70.55 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.215 1.006 . . . . 0.0 112.489 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.11 -5.73 29.0 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.979 -1.076 . . . . 0.0 112.092 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.96 26.7 9.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 125.505 1.522 . . . . 0.0 109.973 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -54.18 -27.22 32.6 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.186 0.903 . . . . 0.0 112.847 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -29.71 49.78 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.287 -0.883 . . . . 0.0 113.08 174.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.54 143.54 48.28 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 122.452 1.12 . . . . 0.0 110.506 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -51.74 19.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.047 -172.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -140.6 8.02 2.15 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.708 0.803 . . . . 0.0 111.852 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.55 4.0 p30 25.79 -147.62 0.0 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 126.591 1.956 . . . . 0.0 114.901 -163.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 m -99.93 -60.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 118.85 0.75 . . . . 0.0 111.266 -168.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 mt -134.17 81.98 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.1 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.824 1.202 . . . . 0.0 114.633 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -67.42 -63.65 1.02 Allowed 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -1.206 . . . . 0.0 109.991 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t 177.36 167.33 0.62 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.373 1.469 . . . . 0.0 110.735 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.25 152.47 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 57.39 13.67 1.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 23.58 69.93 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 117.586 -1.674 . . . . 0.0 113.193 -171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -141.17 128.61 21.23 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.741 1.771 . . . . 0.0 110.951 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.52 121.55 34.08 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -132.78 129.5 38.69 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 176.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.98 141.7 45.86 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 125.131 1.519 . . . . 0.0 110.694 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 O-C-N 125.153 1.533 . . . . 0.0 112.05 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.453 -0.784 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 116.18 26.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.879 1.218 . . . . 0.0 111.619 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -75.05 -34.55 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.562 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -176.26 1.52 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.928 0.891 . . . . 0.0 111.245 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -47.94 -40.23 21.52 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.694 1.198 . . . . 0.0 112.341 173.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.58 -38.52 78.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.218 1.407 . . . . 0.0 111.85 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.1 -17.89 64.85 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.891 -0.506 . . . . 0.0 111.681 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -117.71 31.69 6.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.272 1.429 . . . . 0.0 110.176 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 m -51.4 -43.2 61.87 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.349 -0.844 . . . . 0.0 110.443 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -65.4 -36.19 83.21 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.662 0.785 . . . . 0.0 113.077 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.15 139.76 52.47 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.936 0.398 . . . . 0.0 111.057 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.0 -57.14 8.46 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.373 0.669 . . . . 0.0 112.008 -174.095 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -146.89 19.93 1.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.663 0.785 . . . . 0.0 113.007 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.302 0.6 OUTLIER 45.32 -159.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.973 0.909 . . . . 0.0 112.196 -174.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -91.2 -51.0 5.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 118.631 -0.7 . . . . 0.0 112.592 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.49 -58.07 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.718 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.13 -13.8 0.02 OUTLIER Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -140.69 -43.44 0.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.187 -1.184 . . . . 0.0 111.728 170.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -172.67 152.93 2.64 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.12 0.968 . . . . 0.0 108.579 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.46 149.32 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 171.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 55.23 18.87 2.64 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.99 14.34 70.64 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.48 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -143.68 120.24 11.07 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.194 1.497 . . . . 0.0 111.241 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.43 142.87 48.65 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.217 -0.927 . . . . 0.0 111.572 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -150.88 120.86 7.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.061 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -73.08 137.83 45.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.097 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.3 ttm . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.828 -2.511 . . . . 0.0 113.314 -178.589 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.59 124.5 30.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.243 0.929 . . . . 0.0 110.012 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.47 -35.57 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -178.58 6.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.002 1.321 . . . . 0.0 110.942 -172.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.77 -37.72 88.42 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.183 0.993 . . . . 0.0 112.334 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.07 -30.8 69.46 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.287 0.635 . . . . 0.0 111.594 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.38 -11.18 49.99 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.9 m -112.76 25.95 10.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.329 1.451 . . . . 0.0 111.109 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.6 m -52.93 -30.08 32.39 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.112 0.869 . . . . 0.0 112.357 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.31 -30.48 48.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.391 0.676 . . . . 0.0 112.599 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 141.32 58.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.406 1.098 . . . . 0.0 109.676 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.06 -58.28 5.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.977 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -149.78 16.9 0.88 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.109 0.963 . . . . 0.0 112.35 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.314 2.0 p30 43.68 -163.19 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.898 1.679 . . . . 0.0 111.859 -170.216 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -132.89 18.64 4.16 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.703 -1.248 . . . . 0.0 112.975 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.6 -48.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.4 0.68 . . . . 0.0 111.202 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.76 -17.32 0.65 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 124.44 1.019 . . . . 0.0 113.353 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -158.5 -38.12 0.06 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.085 0.554 . . . . 0.0 111.836 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -167.66 158.15 10.91 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.666 0.787 . . . . 0.0 109.459 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.69 132.34 14.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 118.078 0.399 . . . . 0.0 109.992 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.64 23.02 3.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.97 0.891 . . . . 0.0 112.948 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.56 5.59 89.36 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.58 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -140.0 124.38 17.95 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.733 1.767 . . . . 0.0 110.702 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 134.66 51.24 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 119.909 -1.744 . . . . 0.0 110.46 178.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.1 mtpm? -130.99 124.64 31.4 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.93 -178.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -80.56 147.57 30.73 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.512 1.051 . . . . 0.0 109.4 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 C--O 1.259 1.575 0 CA-C-O 116.585 -1.674 . . . . 0.0 112.294 174.705 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.0 118.08 35.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.26 0.936 . . . . 0.0 109.409 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.38 -29.45 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 122.707 0.403 . . . . 0.0 110.675 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.84 -178.0 6.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.062 1.345 . . . . 0.0 111.15 -172.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.53 -41.74 79.48 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.18 -34.17 63.62 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.369 1.067 . . . . 0.0 111.19 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -62.43 -13.16 26.86 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -118.68 33.37 5.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.324 1.049 . . . . 0.0 110.165 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 m -56.69 -32.61 65.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.199 0.6 . . . . 0.0 112.085 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.4 -30.69 68.71 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.454 -0.779 . . . . 0.0 112.205 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.88 137.08 33.01 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.719 0.771 . . . . 0.0 110.768 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -53.87 45.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.027 0.931 . . . . 0.0 113.465 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -139.29 5.26 2.27 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.187 0.995 . . . . 0.0 111.958 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.94 -164.92 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.313 1.008 . . . . 0.0 110.277 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -111.72 130.59 55.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mm 61.79 -64.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.453 1.901 . . . . 0.0 113.788 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.6 -51.8 0.03 OUTLIER Glycine 0 C--O 1.226 -0.39 0 CA-C-N 119.079 0.854 . . . . 0.0 114.307 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.7 p -105.15 -53.03 2.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 117.658 0.729 . . . . 0.0 111.341 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -173.3 152.71 2.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.415 1.086 . . . . 0.0 109.266 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -139.34 147.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 51.29 24.41 2.06 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.18 65.53 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.831 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -143.75 123.63 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.52 1.66 . . . . 0.0 110.796 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.03 144.66 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.45 -0.781 . . . . 0.0 111.655 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -148.01 126.07 12.1 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.85 139.34 50.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.643 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.3 tmm? . . . . . 0 C--O 1.255 1.346 0 O-C-N 125.671 1.857 . . . . 0.0 111.33 179.422 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.69 160.46 30.71 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.537 1.135 . . . . 0.0 108.365 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -117.38 -47.2 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 122.501 0.32 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -159.88 -63.22 0.07 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.936 -0.478 . . . . 0.0 111.447 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -154.23 -43.87 0.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.948 0.499 . . . . 0.0 111.97 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.08 -33.5 69.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.154 0.582 . . . . 0.0 111.607 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.84 0.18 11.72 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.1 m -130.81 29.44 4.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.928 1.691 . . . . 0.0 110.429 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -52.39 -28.22 18.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.005 0.821 . . . . 0.0 112.561 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -21.69 34.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 120.892 -1.13 . . . . 0.0 113.543 176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.07 131.96 40.93 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.188 -0.945 . . . . 0.0 109.736 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -56.37 23.08 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.018 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.37 18.2 0.74 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.257 0.623 . . . . 0.0 111.632 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 58.46 172.89 0.06 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 123.234 1.492 . . . . 0.0 111.991 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -61.35 -30.37 70.48 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 119.403 -2.061 . . . . 0.0 109.11 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.58 -60.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.66 8.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.268 -175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.4 p -164.87 -53.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.672 1.236 . . . . 0.0 112.814 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 t -176.38 152.44 1.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.47 1.108 . . . . 0.0 109.634 -174.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.69 139.55 42.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 55.32 25.08 7.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.35 72.33 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.403 -1.436 . . . . 0.0 111.991 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.03 124.29 12.25 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.375 1.87 . . . . 0.0 110.342 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 124.57 32.04 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 120.515 -1.366 . . . . 0.0 109.624 178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -138.36 137.17 37.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.301 0.641 . . . . 0.0 110.354 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.23 136.99 39.27 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.234 0.614 . . . . 0.0 109.996 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.1 mtm . . . . . 0 C--O 1.262 1.755 0 C-N-CA 127.323 2.249 . . . . 0.0 109.146 175.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.88 159.3 15.04 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.711 0.687 . . . . 0.0 110.756 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -120.23 -32.59 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 122.707 0.403 . . . . 0.0 111.637 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.65 179.37 5.46 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.03 0.932 . . . . 0.0 110.803 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.96 -44.79 87.23 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -52.68 -39.83 62.31 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.208 1.403 . . . . 0.0 111.628 175.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.52 -9.31 41.2 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 111.857 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 m -138.49 28.55 2.46 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.617 1.567 . . . . 0.0 111.407 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.0 m -50.44 -29.72 10.93 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.046 0.839 . . . . 0.0 112.538 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.89 -31.03 66.34 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.265 0.626 . . . . 0.0 112.181 178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.1 mt -72.16 137.83 47.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 123.51 0.724 . . . . 0.0 109.91 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 p -46.24 -52.44 12.5 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.91 0.884 . . . . 0.0 112.159 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.3 38.18 0.12 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.472 1.109 . . . . 0.0 110.881 176.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.371 0.0 OUTLIER 49.76 -172.84 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.651 1.58 . . . . 0.0 114.343 -172.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.34 -56.17 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 120.58 -1.325 . . . . 0.0 110.855 -176.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.1 mm -114.56 -54.64 4.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.152 0.581 . . . . 0.0 111.199 -175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -167.5 -17.53 0.02 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.355 0.902 . . . . 0.0 115.355 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 m -156.89 -35.39 0.08 Allowed 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.425 1.112 . . . . 0.0 110.838 168.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.4 t -170.7 150.94 3.38 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 124.067 0.947 . . . . 0.0 109.107 -174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 p -143.78 145.37 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.666 0.666 . . . . 0.0 109.565 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 52.47 28.82 6.29 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.216 1.008 . . . . 0.0 113.32 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 15.58 59.78 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 117.854 -1.526 . . . . 0.0 113.538 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.4 tttp -132.68 128.9 37.99 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.717 1.607 . . . . 0.0 109.717 -174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.81 118.75 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.108 -0.995 . . . . 0.0 110.344 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -146.97 132.83 19.04 Favored 'General case' 0 C--O 1.215 -0.716 0 C-N-CA 123.629 0.771 . . . . 0.0 111.234 -178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -73.6 133.61 43.53 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.116 177.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.9 ptt? . . . . . 0 C--O 1.248 1.025 0 O-C-N 124.278 0.986 . . . . 0.0 112.427 175.298 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.34 116.79 23.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.669 1.188 . . . . 0.0 109.388 -176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.1 -34.47 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.771 -0.581 . . . . 0.0 110.641 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.06 179.72 7.76 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.136 0.975 . . . . 0.0 110.899 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 p80 -63.71 -44.51 93.41 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.269 1.028 . . . . 0.0 112.518 174.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -55.55 -31.45 62.15 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.789 0.835 . . . . 0.0 111.909 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -55.91 -23.68 33.01 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.46 0.704 . . . . 0.0 111.934 177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 m -133.13 32.12 3.76 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 124.3 1.04 . . . . 0.0 110.866 -176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.1 m -46.87 -30.82 2.7 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.391 1.076 . . . . 0.0 112.519 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -57.4 -29.19 63.9 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 177.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 24' ' ' CYS . 75.0 mt -75.31 143.08 43.12 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.863 0.865 . . . . 0.0 109.49 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.5 p -47.02 -49.75 20.52 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.32 0.648 . . . . 0.0 112.275 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -156.94 14.09 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.019 1.328 . . . . 0.0 113.183 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.381 1.4 p30 45.65 -161.01 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.842 1.257 . . . . 0.0 112.067 -166.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.0 m -144.21 136.25 26.3 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 121.24 -0.913 . . . . 0.0 109.47 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mm 49.46 84.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 126.032 1.733 . . . . 0.0 112.697 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.81 -86.52 0.1 OUTLIER Glycine 0 CA--C 1.525 0.662 0 CA-C-O 118.706 -1.052 . . . . 0.0 112.575 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 -34.06 6.23 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 125.033 1.078 . . . . 0.0 111.62 -178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 23.4 p 175.81 177.09 0.22 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.301 1.441 . . . . 0.0 111.778 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.8 t -122.75 141.84 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 109.353 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 56.21 18.85 3.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.511 0.724 . . . . 0.0 112.897 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.45 0.54 79.16 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 117.103 -1.943 . . . . 0.0 113.451 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -110.0 124.26 51.13 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.157 1.783 . . . . 0.0 110.795 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.7 133.93 49.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.326 175.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 16.8 tptm -148.78 150.84 33.77 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.758 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 t -105.18 141.87 35.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.985 0.914 . . . . 0.0 109.31 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 47.9 ttm . . . . . 0 C--O 1.253 1.255 0 O-C-N 125.166 1.541 . . . . 0.0 111.698 -176.817 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 155.91 17.97 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.814 0.734 . . . . 0.0 110.555 176.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.5 t -118.08 -32.69 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 123.535 0.522 . . . . 0.0 110.628 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -169.25 176.39 5.22 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.89 0.876 . . . . 0.0 110.458 -176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -53.26 -40.64 64.79 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 173.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.88 -42.16 71.76 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.571 1.148 . . . . 0.0 111.639 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.03 -2.89 19.99 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.576 0.75 . . . . 0.0 111.864 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.8 m -121.82 27.5 8.1 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 126.36 1.864 . . . . 0.0 110.274 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 m -54.75 -38.54 67.3 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.412 1.006 . . . . 0.0 113.663 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.48 -26.69 68.06 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.56 -0.713 . . . . 0.0 111.724 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' ' 26' ' ' CYS . 1.6 mm? -88.14 131.81 34.56 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 122.362 1.077 . . . . 0.0 109.105 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.7 p -49.12 -47.94 44.98 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.358 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.28 22.86 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.15 0.98 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.6 t70 60.52 171.16 0.09 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 122.387 1.089 . . . . 0.0 111.923 -171.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.61 -7.43 59.65 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 120.414 -1.429 . . . . 0.0 110.878 178.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mm -136.22 -58.55 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 124.036 0.934 . . . . 0.0 113.111 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.78 -41.46 0.08 OUTLIER Glycine 0 N--CA 1.461 0.341 0 N-CA-C 116.844 1.498 . . . . 0.0 116.844 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.3 m -133.2 -39.28 0.93 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.137 0.969 . . . . 0.0 111.074 177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.0 t -175.16 151.29 1.27 Allowed 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.834 1.254 . . . . 0.0 108.39 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.15 144.54 25.02 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 54.98 20.19 3.06 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 70.31 17.24 74.06 Favored Glycine 0 CA--C 1.524 0.652 0 CA-C-O 117.9 -1.5 . . . . 0.0 112.755 -173.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -146.13 122.14 10.72 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 119.509 1.654 . . . . 0.0 112.721 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 133.52 38.22 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.003 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -148.96 130.74 15.09 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.554 0.742 . . . . 0.0 110.141 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.46 ' H ' HD12 ' A' ' 11' ' ' LEU . 9.3 t -86.23 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.386 176.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 19.1 ttt . . . . . 0 C--O 1.255 1.361 0 CA-C-O 115.445 -2.217 . . . . 0.0 115.653 -179.505 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -126.41 104.01 7.94 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -174.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.3 t -64.16 -37.38 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-O 119.497 -0.287 . . . . 0.0 111.024 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.88 -177.93 5.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.316 1.046 . . . . 0.0 111.198 -177.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -61.89 -42.17 98.76 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.722 0.809 . . . . 0.0 111.931 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.29 -29.99 70.82 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.638 0.775 . . . . 0.0 111.859 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -67.43 -6.57 19.9 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 m -115.15 20.3 15.07 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 125.553 1.541 . . . . 0.0 111.042 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.4 m -58.24 -32.27 68.19 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 118.853 0.751 . . . . 0.0 112.987 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.75 -26.14 67.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.29 0.636 . . . . 0.0 111.591 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -86.53 138.21 31.9 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.8 0.809 . . . . 0.0 109.594 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.5 p -46.92 -49.3 20.72 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.305 1.042 . . . . 0.0 112.627 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -155.54 15.86 0.38 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.195 1.398 . . . . 0.0 111.836 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.51 3.9 p30 32.48 -149.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.729 1.612 . . . . 0.0 114.968 -162.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.5 p -91.49 -69.44 0.74 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.361 -0.837 . . . . 0.0 111.117 -170.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.1 mt -133.35 84.43 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.635 0.731 . . . . 0.0 109.224 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.87 -87.9 0.01 OUTLIER Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.435 1.017 . . . . 0.0 114.883 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 p -67.71 -62.66 1.31 Allowed 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.961 -1.317 . . . . 0.0 109.801 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.9 t 178.12 173.05 0.64 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.208 1.403 . . . . 0.0 111.216 -175.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -142.54 142.38 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.691 0.796 . . . . 0.0 109.904 174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 47.58 32.29 2.4 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.629 1.204 . . . . 0.0 112.585 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.38 25.62 65.18 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.473 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -142.07 126.73 17.97 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 119.325 1.562 . . . . 0.0 110.465 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.89 131.23 39.51 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.391 -0.818 . . . . 0.0 110.307 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.01 130.88 12.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.146 0.978 . . . . 0.0 109.446 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.4 t -72.69 141.75 48.23 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.139 -0.934 . . . . 0.0 109.957 176.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 63.7 mtp . . . . . 0 C--O 1.249 1.041 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.292 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.55 113.23 25.29 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 t -70.76 -38.63 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 118.473 0.578 . . . . 0.0 110.449 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.33 179.41 9.27 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.826 0.85 . . . . 0.0 111.415 -175.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -61.26 -36.61 80.49 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.964 0.905 . . . . 0.0 112.404 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -72.42 -28.58 63.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.537 1.135 . . . . 0.0 110.771 -178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.67 -25.62 40.47 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.775 -1.203 . . . . 0.0 112.214 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 m -121.09 30.13 6.99 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.005 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -50.72 -32.16 18.69 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.744 0.818 . . . . 0.0 112.64 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -61.12 -30.05 70.14 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.54 140.64 37.16 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.4 p -42.84 -48.75 5.8 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.394 1.078 . . . . 0.0 113.181 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -153.9 16.94 0.5 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.772 1.229 . . . . 0.0 112.055 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.328 2.3 p30 40.78 -157.98 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.527 1.131 . . . . 0.0 113.245 -169.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.6 111.89 22.42 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.663 -0.648 . . . . 0.0 109.801 -172.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm 64.07 -56.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 126.84 2.056 . . . . 0.0 114.386 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -169.16 -23.46 0.02 OUTLIER Glycine 0 CA--C 1.524 0.599 0 CA-C-N 119.234 0.925 . . . . 0.0 114.697 174.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -133.33 -54.96 0.91 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.543 0.737 . . . . 0.0 111.539 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 t 179.92 146.7 0.24 Allowed 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.149 1.379 . . . . 0.0 108.783 -170.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -137.26 141.87 38.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.426 0.557 . . . . 0.0 109.637 171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 48.47 34.85 5.16 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 123.032 1.396 . . . . 0.0 113.622 -178.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 21.3 63.53 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-O 118.049 -1.417 . . . . 0.0 112.971 -178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -141.61 127.06 18.81 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.232 1.516 . . . . 0.0 111.426 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -83.01 132.45 35.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.889 179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -151.6 126.21 9.53 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 122.714 0.406 . . . . 0.0 111.418 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.3 t -62.56 143.51 57.15 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.601 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 C--O 1.257 1.451 0 O-C-N 124.557 1.161 . . . . 0.0 111.948 176.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.67 112.81 26.04 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 119.425 1.011 . . . . 0.0 109.556 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.4 t -70.37 -39.14 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 118.082 0.401 . . . . 0.0 110.656 178.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.65 -179.09 7.83 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.056 0.942 . . . . 0.0 111.058 -177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -58.54 -43.93 89.44 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.513 1.149 . . . . 0.0 111.489 174.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -60.65 -33.63 73.08 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.273 1.429 . . . . 0.0 111.612 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.6 -8.65 21.2 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.1 m -128.38 24.66 5.85 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.268 1.427 . . . . 0.0 111.129 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.2 m -49.39 -33.48 13.89 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.082 0.953 . . . . 0.0 112.771 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -58.09 -34.23 69.95 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.624 -0.672 . . . . 0.0 112.386 177.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 mt -76.21 141.13 41.88 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.793 0.837 . . . . 0.0 109.671 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.7 p -46.23 -45.21 16.87 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -152.52 8.34 0.45 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.68 1.192 . . . . 0.0 112.312 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.307 2.9 p30 42.74 -162.62 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.231 1.412 . . . . 0.0 112.61 -165.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.28 115.64 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.387 -0.821 . . . . 0.0 110.278 -171.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm 65.7 -60.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.714 2.005 . . . . 0.0 113.206 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.11 -34.02 0.02 OUTLIER Glycine 0 C--O 1.225 -0.444 0 CA-C-O 118.105 -1.386 . . . . 0.0 113.256 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -130.62 -50.61 1.06 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.047 0.923 . . . . 0.0 112.118 178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.9 t -176.48 152.68 1.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.04 0.936 . . . . 0.0 109.275 -171.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 p -144.11 148.7 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 CA-C-N 118.373 0.533 . . . . 0.0 109.901 169.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 50.05 29.27 3.41 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 62.12 22.85 63.3 Favored Glycine 0 CA--C 1.526 0.767 0 O-C-N 120.678 -1.264 . . . . 0.0 113.342 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -142.6 125.72 16.36 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.012 1.406 . . . . 0.0 111.003 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.39 134.64 34.08 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.623 -0.673 . . . . 0.0 110.961 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -149.06 129.02 13.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.798 0.839 . . . . 0.0 110.903 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.3 t -67.71 141.95 56.47 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 119.024 -0.512 . . . . 0.0 110.073 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.088 -1.434 . . . . 0.0 112.854 176.146 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.849 0.685 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 120.41 41.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.236 0.926 . . . . 0.0 109.85 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.0 t -87.33 -29.61 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.043 0.537 . . . . 0.0 110.727 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.83 -178.11 5.51 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.774 1.23 . . . . 0.0 110.826 -174.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -67.04 -38.92 86.74 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 tm-20 -57.02 -34.97 68.72 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.486 0.715 . . . . 0.0 111.504 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.35 -14.3 38.26 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.6 m -117.87 29.22 7.95 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 125.648 1.579 . . . . 0.0 110.905 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.9 m -48.73 -42.1 34.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.719 0.808 . . . . 0.0 111.449 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -64.52 -35.08 79.81 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.866 0.867 . . . . 0.0 112.494 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -72.11 146.63 47.37 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.723 1.249 . . . . 0.0 110.316 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.487 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 1.7 m -72.35 -56.37 5.59 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.894 -175.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -151.24 23.69 0.73 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.274 1.03 . . . . 0.0 111.316 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 42.89 -153.86 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.293 1.037 . . . . 0.0 112.708 -175.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -92.21 -43.85 9.1 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 117.548 -1.215 . . . . 0.0 113.498 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 mm -115.8 -56.68 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 120.09 1.314 . . . . 0.0 111.065 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 13.4 0.03 OUTLIER Glycine 0 CA--C 1.524 0.612 0 CA-C-O 118.747 -1.029 . . . . 0.0 113.855 178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.5 p -163.59 -57.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.961 1.304 . . . . 0.0 111.385 174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -173.7 149.34 1.59 Allowed 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.68 1.192 . . . . 0.0 109.872 -171.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -143.1 143.48 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.16 0.584 . . . . 0.0 109.507 176.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 52.74 30.33 8.75 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.628 -1.295 . . . . 0.0 112.761 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.02 20.18 62.21 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 118.483 -1.176 . . . . 0.0 113.073 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -140.02 137.07 34.34 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 119.319 1.559 . . . . 0.0 109.661 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 138.85 31.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 120.429 -1.42 . . . . 0.0 109.388 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' CE ' ' O ' ' A' ' 26' ' ' CYS . 1.3 tmpt? -149.45 118.56 6.76 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 118.457 -0.782 . . . . 0.0 110.797 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -67.96 134.07 50.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 117.411 -1.281 . . . . 0.0 111.696 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.3 mtp . . . . . 0 C--O 1.256 1.411 0 CA-C-O 114.716 -2.564 . . . . 0.0 113.623 178.361 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.84 114.07 24.22 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.215 0.916 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.1 t -82.56 -29.0 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 123.088 0.555 . . . . 0.0 111.326 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -177.68 5.31 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.661 1.184 . . . . 0.0 110.69 -174.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -40.99 89.67 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -56.64 -34.82 67.67 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.774 0.83 . . . . 0.0 111.398 176.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.47 -9.41 25.49 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 122.929 0.492 . . . . 0.0 112.179 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 68.4 m -121.86 28.15 7.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 126.087 1.755 . . . . 0.0 110.925 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 m -52.08 -33.99 41.77 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 118.929 0.786 . . . . 0.0 112.672 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 tt -68.76 -33.84 74.58 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 122.891 0.477 . . . . 0.0 112.15 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 26' ' ' CYS . 2.7 mm? -76.34 136.58 39.56 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 122.408 1.099 . . . . 0.0 110.646 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -60.2 -56.51 20.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.813 -174.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -155.66 28.39 0.38 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.867 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 41.72 -161.73 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.204 1.402 . . . . 0.0 113.48 -177.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.5 m -78.06 -67.82 0.69 Allowed 'General case' 0 C--N 1.333 -0.139 0 O-C-N 120.546 -1.346 . . . . 0.0 110.74 177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.5 mt -90.17 -76.89 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 CA-C-N 119.235 0.925 . . . . 0.0 108.557 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -163.32 17.44 0.13 Allowed Glycine 0 CA--C 1.524 0.65 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.953 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 p -163.44 -60.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.045 1.338 . . . . 0.0 111.524 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 17.3 t -171.74 154.06 3.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.427 1.491 . . . . 0.0 109.035 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 p -143.76 144.47 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.661 -0.649 . . . . 0.0 109.387 172.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 51.46 24.37 2.19 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.901 0.857 . . . . 0.0 113.261 -179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.96 21.05 75.15 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.334 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -141.8 129.39 21.45 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 126.319 1.848 . . . . 0.0 110.664 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.83 137.54 32.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.495 -1.378 . . . . 0.0 110.256 177.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -149.11 118.65 6.95 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.908 -177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.41 ' H ' HD12 ' A' ' 11' ' ' LEU . 6.4 t -67.07 141.19 57.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.798 177.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 ptt? . . . . . 0 C--O 1.256 1.428 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 176.582 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.461 0 CA-C-O 118.374 -0.822 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.17 114.06 20.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 119.295 0.952 . . . . 0.0 109.095 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 t -85.34 -27.82 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.308 0.643 . . . . 0.0 111.108 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.96 -176.89 5.95 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.412 1.085 . . . . 0.0 111.339 -173.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.6 p80 -65.78 -45.7 81.48 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.163 0.985 . . . . 0.0 112.003 174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.74 -29.86 68.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.635 0.374 . . . . 0.0 111.304 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -21.8 37.2 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.664 -0.647 . . . . 0.0 112.208 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.5 m -113.2 29.09 8.26 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 124.811 1.245 . . . . 0.0 110.81 -177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.6 m -54.58 -30.81 55.51 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.77 -31.44 68.22 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.082 -1.011 . . . . 0.0 111.636 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.19 139.68 35.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 122.27 1.033 . . . . 0.0 110.551 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -69.48 -50.17 47.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.839 -173.092 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -144.48 6.26 1.26 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-O 118.19 -0.91 . . . . 0.0 112.383 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER 53.26 -176.65 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.014 0.926 . . . . 0.0 111.837 -172.183 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.415 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 49.7 p -61.55 -80.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 124.958 1.303 . . . . 0.0 112.207 173.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 63.0 mt -89.2 -74.19 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 O-C-N 119.995 -1.691 . . . . 0.0 110.107 -176.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.14 -29.7 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.075 -0.847 . . . . 0.0 114.307 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.5 p -118.47 -55.29 2.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 117.96 0.88 . . . . 0.0 111.541 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -173.23 154.71 2.76 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.303 1.041 . . . . 0.0 108.798 -173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.56 147.61 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 118.624 0.647 . . . . 0.0 110.111 169.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 56.67 16.7 2.74 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.73 23.96 76.54 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.043 -0.865 . . . . 0.0 112.562 -172.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -148.53 116.59 6.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.416 1.608 . . . . 0.0 110.644 -173.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -76.16 143.36 41.21 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.609 -1.307 . . . . 0.0 111.453 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -151.03 122.91 8.11 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.986 0.514 . . . . 0.0 110.475 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 9.3 t -70.4 140.66 52.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 118.903 -0.57 . . . . 0.0 110.774 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 O-C-N 125.232 1.583 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 119.13 38.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 119.469 1.031 . . . . 0.0 108.919 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.48 -41.67 42.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.8 p -159.23 -176.48 5.85 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.224 1.409 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -59.17 -36.2 74.88 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.942 0.897 . . . . 0.0 112.346 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.74 -37.07 72.97 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.856 1.663 . . . . 0.0 111.306 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.91 -6.9 30.2 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.0 m -119.64 28.6 8.06 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.453 1.501 . . . . 0.0 110.664 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 m -51.95 -33.68 38.71 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.505 0.593 . . . . 0.0 112.539 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.91 -32.51 67.45 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.47 134.97 48.26 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 122.136 0.969 . . . . 0.0 109.428 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.3 -55.67 30.46 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 114.957 -1.019 . . . . 0.0 112.482 -174.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -143.89 0.2 1.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.457 1.103 . . . . 0.0 111.951 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 54.97 158.99 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.23 1.412 . . . . 0.0 112.806 -167.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -63.57 1.14 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 126.398 1.879 . . . . 0.0 115.294 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.68 -78.57 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.19 -66.24 0.03 OUTLIER Glycine 0 CA--C 1.522 0.481 0 O-C-N 120.277 -1.514 . . . . 0.0 113.191 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 m -100.95 -42.09 6.55 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.357 1.063 . . . . 0.0 111.734 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 18.0 t -173.72 155.74 2.74 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.434 1.494 . . . . 0.0 108.54 -171.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 p -144.06 146.14 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 171.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.14 19.13 4.57 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.318 -0.864 . . . . 0.0 113.202 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.07 13.45 72.83 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.216 -1.325 . . . . 0.0 113.246 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -143.82 122.41 12.51 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 119.557 1.678 . . . . 0.0 111.681 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 140.12 48.67 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.816 -0.552 . . . . 0.0 111.223 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -145.9 138.78 25.81 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 122.716 0.406 . . . . 0.0 111.36 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.1 t -89.06 144.66 25.99 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.25 0.62 . . . . 0.0 110.865 175.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 C--O 1.268 2.041 0 C-N-CA 126.344 1.857 . . . . 0.0 111.063 176.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.06 105.7 5.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 105.866 -1.902 . . . . 0.0 105.866 -174.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t -75.61 -30.64 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.407 -0.806 . . . . 0.0 110.234 -179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.54 -179.38 7.28 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.957 0.903 . . . . 0.0 111.563 -174.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -62.81 -40.73 98.27 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.331 0.652 . . . . 0.0 111.688 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.46 -20.73 62.05 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.88 -26.9 62.73 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.777 -1.202 . . . . 0.0 111.275 173.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.13 36.35 3.39 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 123.405 0.682 . . . . 0.0 109.944 -176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.5 m -52.3 -35.29 50.14 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.627 0.649 . . . . 0.0 112.16 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.9 tt -65.47 -35.51 81.11 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 121.562 -0.711 . . . . 0.0 112.293 176.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -78.91 129.07 34.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 121.098 0.475 . . . . 0.0 110.436 -177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -46.8 -54.44 9.82 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.432 1.493 . . . . 0.0 113.733 -171.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -149.11 7.51 0.71 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 124.848 1.259 . . . . 0.0 111.613 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 55.69 -162.58 0.16 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 123.754 0.659 . . . . 0.0 111.31 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -133.11 148.37 52.14 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.1 mm 46.21 79.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 126.13 1.772 . . . . 0.0 112.68 -175.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.16 -94.24 0.1 OUTLIER Glycine 0 CA--C 1.524 0.642 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.574 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -89.36 -47.82 7.76 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.952 0.901 . . . . 0.0 110.345 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -171.39 166.9 6.94 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 123.98 0.912 . . . . 0.0 111.225 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 p -136.91 138.12 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 121.566 -0.709 . . . . 0.0 110.65 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 44.78 35.25 1.4 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 122.553 1.168 . . . . 0.0 112.558 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.67 28.37 73.72 Favored Glycine 0 CA--C 1.527 0.805 0 CA-C-O 118.199 -1.334 . . . . 0.0 113.621 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.3 tttp -142.47 130.13 21.48 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 119.909 1.855 . . . . 0.0 111.73 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.4 m -91.28 140.05 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.645 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -152.28 125.65 8.76 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 122.772 0.429 . . . . 0.0 110.103 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.07 143.0 57.6 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.841 0.456 . . . . 0.0 110.386 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mmt . . . . . 0 C--O 1.241 0.649 0 C-N-CA 124.012 0.925 . . . . 0.0 112.23 175.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -138.57 104.33 5.1 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.007 1.323 . . . . 0.0 108.588 179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -64.0 -40.04 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.904 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -69.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.664 0.786 . . . . 0.0 111.749 175.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -148.73 -43.51 0.15 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.787 0.835 . . . . 0.0 111.263 -177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.93 -30.74 64.27 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.356 0.662 . . . . 0.0 111.459 179.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.01 -13.68 28.19 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.9 m -114.38 27.77 9.23 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.501 1.52 . . . . 0.0 110.325 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.4 m -56.07 -55.14 36.52 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.779 -1.201 . . . . 0.0 110.728 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 pp -63.16 -28.17 69.87 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 124.077 0.86 . . . . 0.0 113.097 -177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -63.88 136.09 57.09 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.3 p -46.16 -50.96 14.98 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.885 0.874 . . . . 0.0 112.036 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -160.39 19.2 0.14 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.448 1.099 . . . . 0.0 111.841 -175.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.268 1.3 p-10 44.01 -156.9 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.644 0.778 . . . . 0.0 112.696 -170.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.6 -60.87 1.47 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.469 0.708 . . . . 0.0 111.934 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -133.81 70.62 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.916 0.865 . . . . 0.0 109.521 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 59.86 -77.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 116.981 1.553 . . . . 0.0 116.981 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 p -76.69 -64.97 1.0 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 119.709 -2.054 . . . . 0.0 108.946 176.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 12.7 t 179.53 172.24 0.94 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.072 0.949 . . . . 0.0 111.461 -174.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.4 t -140.65 138.65 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.845 0.858 . . . . 0.0 109.979 175.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.329 47.5 m-20 43.52 40.55 2.86 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.966 1.365 . . . . 0.0 113.507 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 61.3 17.82 53.71 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.091 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -143.45 124.18 14.16 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.612 1.706 . . . . 0.0 111.068 -176.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.18 142.3 32.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.946 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.7 mttt -142.33 129.03 20.4 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 123.478 0.711 . . . . 0.0 111.271 179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.7 t -77.34 146.17 36.88 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.826 -1.559 . . . . 0.0 112.413 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 m -99.57 114.47 27.51 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.0 t -65.42 -38.38 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 CA-C-N 118.551 0.614 . . . . 0.0 110.45 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.64 177.93 8.35 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.242 1.417 . . . . 0.0 111.449 -173.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -63.18 -39.3 94.25 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.139 0.976 . . . . 0.0 112.079 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.68 -22.99 66.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.57 0.748 . . . . 0.0 111.301 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.1 -25.52 63.88 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.248 -1.532 . . . . 0.0 110.969 173.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.256 86.5 m -115.65 37.65 3.53 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 123.919 0.887 . . . . 0.0 109.822 -172.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.88 -32.55 14.73 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.906 0.883 . . . . 0.0 112.676 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -74.21 -35.5 63.92 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.902 -0.499 . . . . 0.0 112.07 177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.33 135.72 49.11 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.462 0.649 . . . . 0.0 109.649 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -50.45 -55.23 16.78 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.912 -174.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -147.02 6.78 0.89 Allowed 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.193 0.997 . . . . 0.0 112.473 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.306 2.0 p30 45.4 -160.38 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.8 1.24 . . . . 0.0 111.982 -169.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -146.13 147.02 31.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 O-C-N 121.202 -0.936 . . . . 0.0 110.817 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 22.8 mm 52.23 78.82 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.563 1.145 . . . . 0.0 111.894 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.61 -91.57 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-O 118.922 -0.932 . . . . 0.0 112.002 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.1 m -97.99 -44.22 6.75 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.704 1.202 . . . . 0.0 111.719 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 21.2 p -176.51 170.23 2.51 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.824 1.25 . . . . 0.0 111.351 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.4 p -123.48 150.34 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.0 27.48 13.3 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.32 -0.863 . . . . 0.0 112.752 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.13 15.65 65.58 Favored Glycine 0 C--N 1.341 0.838 0 CA-C-O 117.122 -1.932 . . . . 0.0 113.197 -175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -141.12 123.53 15.83 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.334 1.454 . . . . 0.0 111.503 -175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.3 m -64.17 146.92 53.44 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 120.733 -1.229 . . . . 0.0 112.064 177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -149.67 121.41 8.1 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.206 0.602 . . . . 0.0 111.074 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 t -66.02 139.33 58.2 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.442 0.697 . . . . 0.0 111.21 177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.968 1.707 . . . . 0.0 111.688 -177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 118.01 -0.995 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.91 118.41 20.19 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.192 0.997 . . . . 0.0 111.617 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.7 t -67.04 -37.63 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 118.956 -0.545 . . . . 0.0 110.718 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -163.05 -179.81 6.98 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.023 1.329 . . . . 0.0 111.079 -171.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -65.59 -39.45 91.6 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.011 0.924 . . . . 0.0 112.276 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -57.59 -32.63 67.36 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.458 0.703 . . . . 0.0 111.339 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -20.05 55.68 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.873 0.869 . . . . 0.0 111.93 176.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 19' ' ' CYS . 38.8 m -108.77 20.81 18.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.917 1.287 . . . . 0.0 112.777 -178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.3 m -59.22 -34.91 72.75 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -60.96 -21.17 63.23 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.959 -0.463 . . . . 0.0 111.788 177.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -89.69 138.39 31.51 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 123.669 0.788 . . . . 0.0 109.065 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 p -42.97 -51.04 5.77 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.623 1.169 . . . . 0.0 112.826 -179.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -163.75 14.19 0.06 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.97 1.308 . . . . 0.0 112.752 178.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.305 6.6 t70 54.5 155.64 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.802 2.041 . . . . 0.0 114.904 -169.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -85.0 -25.94 27.39 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 120.088 -1.633 . . . . 0.0 112.258 -171.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -135.65 88.1 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 119.269 0.941 . . . . 0.0 109.895 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.2 -99.28 0.11 Allowed Glycine 0 CA--C 1.528 0.881 0 CA-C-O 118.854 -0.97 . . . . 0.0 112.115 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 m -90.54 -44.55 9.49 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 117.779 0.79 . . . . 0.0 111.773 175.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 0.8 OUTLIER -159.02 161.07 36.54 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.745 1.218 . . . . 0.0 112.463 -172.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.1 t -107.62 115.74 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.21 1.004 . . . . 0.0 110.442 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 52.06 27.93 4.91 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 122.72 1.248 . . . . 0.0 112.924 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.88 16.16 66.03 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 118.312 -1.271 . . . . 0.0 113.475 -177.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -132.29 129.08 39.09 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.428 1.614 . . . . 0.0 110.747 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 67.6 m -67.63 125.18 25.38 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.761 -0.587 . . . . 0.0 109.802 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -150.24 139.99 21.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 118.151 0.432 . . . . 0.0 110.656 174.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -98.95 145.64 26.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 117.494 -1.241 . . . . 0.0 109.529 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 C--O 1.254 1.294 0 CA-C-O 115.022 -2.418 . . . . 0.0 114.955 174.36 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 121.334 0.587 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.39 147.03 52.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 127.371 2.268 . . . . 0.0 106.019 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 -37.67 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 CA-C-N 118.277 0.49 . . . . 0.0 110.96 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.576 HG22 ' H ' ' A' ' 5' ' ' HIS . 2.0 m -163.65 -177.81 5.41 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.217 1.007 . . . . 0.0 109.78 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.576 ' H ' HG22 ' A' ' 4' ' ' THR . 0.4 OUTLIER -60.05 -44.11 94.93 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.019 0.928 . . . . 0.0 112.77 177.206 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -51.8 -40.3 60.16 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.423 1.489 . . . . 0.0 111.392 175.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -65.2 -11.61 42.57 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.22 0.608 . . . . 0.0 112.251 -178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.7 m -136.91 30.51 2.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 125.091 1.356 . . . . 0.0 110.452 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.0 m -51.71 -27.91 13.25 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.011 0.924 . . . . 0.0 112.355 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -59.78 -28.72 67.65 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 177.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.3 mt -76.63 137.63 39.59 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.014 0.926 . . . . 0.0 109.162 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.5 p -47.45 -48.41 26.68 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.765 0.826 . . . . 0.0 112.932 176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -161.32 18.02 0.11 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.521 1.529 . . . . 0.0 111.815 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 t70 60.17 170.09 0.08 Allowed 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 123.145 1.45 . . . . 0.0 111.284 -169.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.85 -26.34 65.75 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 125.999 1.719 . . . . 0.0 110.824 175.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.8 mt -145.63 -60.49 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 123.561 0.744 . . . . 0.0 112.728 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.38 -26.76 0.02 OUTLIER Glycine 0 CA--C 1.522 0.482 0 CA-C-O 119.259 -0.745 . . . . 0.0 114.589 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.7 p -136.64 -57.8 0.73 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 117.756 0.778 . . . . 0.0 110.27 176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.2 t -177.81 159.83 1.44 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.453 1.101 . . . . 0.0 110.671 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.98 146.15 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 123.2 0.6 . . . . 0.0 110.344 175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . 0.307 75.0 m-20 50.42 32.53 6.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.744 1.259 . . . . 0.0 113.538 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.03 10.32 39.36 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-O 117.543 -1.699 . . . . 0.0 113.544 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -124.93 125.53 44.07 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 125.807 1.643 . . . . 0.0 110.174 -175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.21 119.8 30.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.208 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -147.83 135.06 20.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.014 1.325 . . . . 0.0 109.767 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.81 141.5 51.36 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.357 -0.84 . . . . 0.0 109.009 174.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 35.1 ttp . . . . . 0 C--O 1.257 1.485 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.356 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -127.43 108.4 10.8 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.92 -32.59 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 123.577 0.548 . . . . 0.0 110.822 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.02 179.1 7.19 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 123.657 0.783 . . . . 0.0 110.859 -174.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -57.85 -39.36 77.53 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.054 0.942 . . . . 0.0 111.672 172.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -64.49 -29.51 70.55 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.215 1.006 . . . . 0.0 112.489 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -70.11 -5.73 29.0 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 120.979 -1.076 . . . . 0.0 112.092 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 33.8 m -117.96 26.7 9.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 125.505 1.522 . . . . 0.0 109.973 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.9 m -54.18 -27.22 32.6 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.186 0.903 . . . . 0.0 112.847 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.99 -29.71 49.78 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.287 -0.883 . . . . 0.0 113.08 174.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.54 143.54 48.28 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-O 122.452 1.12 . . . . 0.0 110.506 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 -51.74 19.2 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.978 -1.01 . . . . 0.0 113.047 -172.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -140.6 8.02 2.15 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.708 0.803 . . . . 0.0 111.852 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.55 4.0 p30 25.79 -147.62 0.0 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 126.591 1.956 . . . . 0.0 114.901 -163.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 m -99.93 -60.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 118.85 0.75 . . . . 0.0 111.266 -168.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 mt -134.17 81.98 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 53.1 -88.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.824 1.202 . . . . 0.0 114.633 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 m -67.42 -63.65 1.02 Allowed 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.15 -1.206 . . . . 0.0 109.991 178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.5 t 177.36 167.33 0.62 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.373 1.469 . . . . 0.0 110.735 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 p -142.25 152.47 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 N-CA-C 109.001 -0.741 . . . . 0.0 109.001 175.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 57.39 13.67 1.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 23.58 69.93 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 117.586 -1.674 . . . . 0.0 113.193 -171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -141.17 128.61 21.23 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.741 1.771 . . . . 0.0 110.951 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -92.52 121.55 34.08 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.254 0.5 OUTLIER -132.78 129.5 38.69 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 176.398 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.5 t -73.98 141.7 45.86 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 125.131 1.519 . . . . 0.0 110.694 -177.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 O-C-N 125.153 1.533 . . . . 0.0 112.05 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 118.453 -0.784 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.05 116.18 26.05 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.879 1.218 . . . . 0.0 111.619 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -75.05 -34.55 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 119.163 -0.446 . . . . 0.0 111.562 178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -172.47 -176.26 1.52 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.928 0.891 . . . . 0.0 111.245 177.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -47.94 -40.23 21.52 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.694 1.198 . . . . 0.0 112.341 173.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.58 -38.52 78.1 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.218 1.407 . . . . 0.0 111.85 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.1 -17.89 64.85 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.891 -0.506 . . . . 0.0 111.681 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -117.71 31.69 6.57 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.272 1.429 . . . . 0.0 110.176 -178.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.1 m -51.4 -43.2 61.87 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.349 -0.844 . . . . 0.0 110.443 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tt -65.4 -36.19 83.21 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.662 0.785 . . . . 0.0 113.077 177.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.15 139.76 52.47 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.936 0.398 . . . . 0.0 111.057 -176.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 26' ' ' CYS . 0.5 OUTLIER -66.0 -57.14 8.46 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.373 0.669 . . . . 0.0 112.008 -174.095 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -146.89 19.93 1.27 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.663 0.785 . . . . 0.0 113.007 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.302 0.6 OUTLIER 45.32 -159.62 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.973 0.909 . . . . 0.0 112.196 -174.825 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -91.2 -51.0 5.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 118.631 -0.7 . . . . 0.0 112.592 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.1 mm -108.49 -58.07 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 118.9 0.773 . . . . 0.0 110.718 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -179.13 -13.8 0.02 OUTLIER Glycine 0 CA--C 1.522 0.483 0 N-CA-C 114.886 0.714 . . . . 0.0 114.886 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.2 m -140.69 -43.44 0.4 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.187 -1.184 . . . . 0.0 111.728 170.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.0 t -172.67 152.93 2.64 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 124.12 0.968 . . . . 0.0 108.579 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 p -141.46 149.32 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 171.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 55.23 18.87 2.64 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 69.99 14.34 70.64 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.261 -1.299 . . . . 0.0 113.48 -173.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -143.68 120.24 11.07 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.194 1.497 . . . . 0.0 111.241 -174.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.43 142.87 48.65 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.217 -0.927 . . . . 0.0 111.572 178.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -150.88 120.86 7.14 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 118.537 -0.744 . . . . 0.0 110.061 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' CYS . 2.6 t -73.08 137.83 45.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.097 179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.3 ttm . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.828 -2.511 . . . . 0.0 113.314 -178.589 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -83.59 124.5 30.85 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.243 0.929 . . . . 0.0 110.012 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.47 -35.57 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.0 -178.58 6.16 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.002 1.321 . . . . 0.0 110.942 -172.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.77 -37.72 88.42 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 124.183 0.993 . . . . 0.0 112.334 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.07 -30.8 69.46 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.287 0.635 . . . . 0.0 111.594 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.38 -11.18 49.99 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.9 m -112.76 25.95 10.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.329 1.451 . . . . 0.0 111.109 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.6 m -52.93 -30.08 32.39 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.112 0.869 . . . . 0.0 112.357 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tt -78.31 -30.48 48.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.391 0.676 . . . . 0.0 112.599 177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.75 141.32 58.37 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 122.406 1.098 . . . . 0.0 109.676 -177.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.7 m -67.06 -58.28 5.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.977 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -149.78 16.9 0.88 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 124.109 0.963 . . . . 0.0 112.35 -178.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' A' ' 25' ' ' LYS 0.314 2.0 p30 43.68 -163.19 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.898 1.679 . . . . 0.0 111.859 -170.216 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 77.2 p -132.89 18.64 4.16 Favored 'General case' 0 N--CA 1.48 1.033 0 O-C-N 120.703 -1.248 . . . . 0.0 112.975 175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.9 mm -145.6 -48.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 123.4 0.68 . . . . 0.0 111.202 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.76 -17.32 0.65 Allowed Glycine 0 CA--C 1.523 0.554 0 C-N-CA 124.44 1.019 . . . . 0.0 113.353 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.6 m -158.5 -38.12 0.06 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.085 0.554 . . . . 0.0 111.836 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 6.7 t -167.66 158.15 10.91 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.666 0.787 . . . . 0.0 109.459 -177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.69 132.34 14.55 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 CA-C-N 118.078 0.399 . . . . 0.0 109.992 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 53.64 23.02 3.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.97 0.891 . . . . 0.0 112.948 -177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.56 5.59 89.36 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.58 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -140.0 124.38 17.95 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 119.733 1.767 . . . . 0.0 110.702 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.88 134.66 51.24 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 119.909 -1.744 . . . . 0.0 110.46 178.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 14' ' ' ASP . 8.1 mtpm? -130.99 124.64 31.4 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.93 -178.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.7 t -80.56 147.57 30.73 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.512 1.051 . . . . 0.0 109.4 175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.5 ttp . . . . . 0 C--O 1.259 1.575 0 CA-C-O 116.585 -1.674 . . . . 0.0 112.294 174.705 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.0 118.08 35.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.26 0.936 . . . . 0.0 109.409 178.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.38 -29.45 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 122.707 0.403 . . . . 0.0 110.675 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.84 -178.0 6.53 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 125.062 1.345 . . . . 0.0 111.15 -172.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -68.53 -41.74 79.48 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -55.18 -34.17 63.62 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.369 1.067 . . . . 0.0 111.19 176.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -62.43 -13.16 26.86 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 m -118.68 33.37 5.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 124.324 1.049 . . . . 0.0 110.165 178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 m -56.69 -32.61 65.63 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.199 0.6 . . . . 0.0 112.085 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.4 -30.69 68.71 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.454 -0.779 . . . . 0.0 112.205 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -85.88 137.08 33.01 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.719 0.771 . . . . 0.0 110.768 -176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -53.87 45.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.027 0.931 . . . . 0.0 113.465 -170.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -139.29 5.26 2.27 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.187 0.995 . . . . 0.0 111.958 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 54.94 -164.92 0.11 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 124.313 1.008 . . . . 0.0 110.277 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 m -111.72 130.59 55.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.9 mm 61.79 -64.98 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.453 1.901 . . . . 0.0 113.788 -176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.6 -51.8 0.03 OUTLIER Glycine 0 C--O 1.226 -0.39 0 CA-C-N 119.079 0.854 . . . . 0.0 114.307 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.7 p -105.15 -53.03 2.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 117.658 0.729 . . . . 0.0 111.341 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -173.3 152.71 2.27 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.415 1.086 . . . . 0.0 109.266 -172.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -139.34 147.9 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 174.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 51.29 24.41 2.06 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 66.15 17.18 65.53 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.831 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -143.75 123.63 13.49 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.52 1.66 . . . . 0.0 110.796 -177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.03 144.66 45.0 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.45 -0.781 . . . . 0.0 111.655 176.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -148.01 126.07 12.1 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.788 -0.625 . . . . 0.0 110.595 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.85 139.34 50.84 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.643 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.3 tmm? . . . . . 0 C--O 1.255 1.346 0 O-C-N 125.671 1.857 . . . . 0.0 111.33 179.422 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.69 160.46 30.71 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.537 1.135 . . . . 0.0 108.365 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -117.38 -47.2 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 122.501 0.32 . . . . 0.0 110.771 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 m -159.88 -63.22 0.07 Allowed 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.936 -0.478 . . . . 0.0 111.447 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -154.23 -43.87 0.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 122.948 0.499 . . . . 0.0 111.97 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -58.08 -33.5 69.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 123.154 0.582 . . . . 0.0 111.607 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.84 0.18 11.72 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 177.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.1 m -130.81 29.44 4.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.928 1.691 . . . . 0.0 110.429 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 98.9 m -52.39 -28.22 18.81 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 119.005 0.821 . . . . 0.0 112.561 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.75 -21.69 34.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 120.892 -1.13 . . . . 0.0 113.543 176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.07 131.96 40.93 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.188 -0.945 . . . . 0.0 109.736 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -56.37 23.08 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.482 -0.781 . . . . 0.0 113.018 -173.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -151.37 18.2 0.74 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.257 0.623 . . . . 0.0 111.632 176.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.8 t70 58.46 172.89 0.06 Allowed 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 123.234 1.492 . . . . 0.0 111.991 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -61.35 -30.37 70.48 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 119.403 -2.061 . . . . 0.0 109.11 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.7 mt -134.58 -60.16 0.55 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.408 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.66 8.02 0.02 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.268 -175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.4 p -164.87 -53.56 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.672 1.236 . . . . 0.0 112.814 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.9 t -176.38 152.44 1.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.47 1.108 . . . . 0.0 109.634 -174.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 p -137.69 139.55 42.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 55.32 25.08 7.1 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.3 27.35 72.33 Favored Glycine 0 CA--C 1.527 0.837 0 O-C-N 120.403 -1.436 . . . . 0.0 111.991 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -146.03 124.29 12.25 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.375 1.87 . . . . 0.0 110.342 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.25 124.57 32.04 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 120.515 -1.366 . . . . 0.0 109.624 178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -138.36 137.17 37.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.301 0.641 . . . . 0.0 110.354 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.4 t -100.23 136.99 39.27 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.234 0.614 . . . . 0.0 109.996 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.1 mtm . . . . . 0 C--O 1.262 1.755 0 C-N-CA 127.323 2.249 . . . . 0.0 109.146 175.753 . . . . . . . . 0 0 . 1 stop_ save_