data_1ma2_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 1ma2 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.885 0.374 . . . . 5.2000000000000002 111.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -108.64 155.56 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 3.5 110.809 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.98 112.91 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 7.5999999999999996 110.954 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.0 -79.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 7.5300000000000002 110.987 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.15 27.09 2.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.659 -0.781 . . . . 3.71 112.549 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -135.69 124.15 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 4.7400000000000002 111.036 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.1 m -102.69 114.88 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 3.54 110.912 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 11' ' ' ILE . 5.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 7.3300000000000001 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.836 0.351 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.29 152.72 20.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -167.89 162.89 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.07 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.85 31.15 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.415 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -161.1 174.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 m -117.6 102.84 9.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.058 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 5.2 t -90.38 110.27 21.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 21.6 m-85 -91.55 101.89 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.04 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.909 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.91 -37.74 0.6 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.588 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 2.2 pp -90.65 152.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.022 0.411 . . . . 0.0 111.674 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -139.52 110.87 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.068 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 -179.308 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.474 ' N ' ' CG2' ' A' ' 6' ' ' VAL . 48.6 t -171.34 116.27 0.42 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.876 0.369 . . . . 0.0 111.047 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 7' ' ' CYS . 20.5 m-85 -137.12 155.82 49.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 66.27 -64.76 0.21 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.27 -27.23 0.02 OUTLIER Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.187 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 144.82 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.842 0.321 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 45.8 m -119.69 103.16 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.9 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.826 0.346 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.3 m -90.24 97.26 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 124.12 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 68.78 -67.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.91 36.28 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.441 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -163.42 132.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.5 m -86.86 109.92 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 37.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.861 0.362 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 48.2 m -116.04 105.15 12.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 21.4 m-85 -162.06 164.8 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.297 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 -146.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.295 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.49 20.96 34.84 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.099 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.439 ' CG1' ' CE2' ' A' ' 13' ' ' TYR . 8.2 tp -147.3 137.04 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 t -137.98 129.02 27.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 111.09 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.439 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 53.6 m-85 . . . . . 0 C--O 1.235 0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.849 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.452 ' CG2' ' CD2' ' A' ' 8' ' ' TYR . 14.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.625 0.25 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.7 m -101.09 107.39 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.452 ' CD2' ' CG2' ' A' ' 6' ' ' VAL . 31.7 m-85 -160.96 167.77 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.704 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.58 10.83 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.878 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.83 -22.4 35.54 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.252 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.509 ' CG1' ' HD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -106.0 177.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 111.04 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.503 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.3 m -127.43 76.75 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.687 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HD1' ' CG1' ' A' ' 11' ' ' ILE . 2.1 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.547 0.213 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 t -107.13 156.04 19.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.341 . . . . 0.0 111.194 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -133.13 124.33 27.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.255 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 53.85 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.324 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -120.81 -38.55 0.65 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 12' ' ' CYS . 8.8 tp -92.67 159.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.6 m -109.79 121.85 46.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.957 0.408 . . . . 0.0 110.669 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.718 0.294 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.749 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 3.6 p -173.16 -173.55 0.94 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 7' ' ' CYS . 13.4 m-85 -166.3 -172.91 2.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.762 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -61.85 83.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.283 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . 171.31 -31.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.129 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.7 tp 166.86 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.749 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 79.3 m -127.03 135.75 51.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.14 0.495 . . . . 0.0 111.955 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.235 0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.921 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.254 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -89.41 124.19 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -128.43 156.34 43.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -18.08 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.46 -23.29 9.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.683 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.434 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 3.3 tp -173.34 121.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 27.3 t -95.2 92.69 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 75.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.613 0.244 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.9 m -92.91 116.72 29.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLY . 2.5 m-85 -120.74 177.26 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 33.48 -89.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.155 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -145.31 17.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.537 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.75 151.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -103.65 118.18 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.053 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.1 t -119.75 155.11 33.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.5 m-85 -132.22 60.02 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 54.73 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.006 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -55.66 -25.28 42.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.9 -0.666 . . . . 0.0 113.35 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 11' ' ' ILE . 6.0 tp -150.93 139.84 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 111.74 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -118.82 155.05 31.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.792 0.33 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 t -90.04 111.63 22.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.3 150.63 20.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -45.85 -34.16 3.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.536 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.36 -49.4 7.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -151.68 174.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -96.05 86.48 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.79 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CD1' HG12 ' A' ' 11' ' ' ILE . 7.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.32 106.84 17.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.22 168.93 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 64.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 -26.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.673 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -169.64 154.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.641 0.257 . . . . 0.0 110.94 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -99.1 105.45 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.958 0.409 . . . . 0.0 111.058 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.091 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 m -118.8 130.45 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -134.1 125.61 28.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.88 -31.23 0.45 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -97.28 152.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.861 0.363 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.4 m -123.77 121.55 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 120.613 0.244 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.2 m -74.86 176.79 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 170.85 105.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.717 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 4.1 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.796 0.838 . . . . 0.0 113.19 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 168.92 -50.13 0.22 Allowed Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.643 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HG23 ' C ' ' A' ' 10' ' ' GLY . 5.7 pt -155.1 -171.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.1 0.476 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.1 m -140.19 96.54 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.321 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 0.0 111.337 -179.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.0 m -117.48 137.1 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.756 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' GLY . 17.7 m-85 -159.45 -102.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.02 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.133 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 32.89 33.06 0.01 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.626 -0.715 . . . . 0.0 114.336 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 9' ' ' ARG . 10.3 pt -155.03 172.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 117.185 0.492 . . . . 0.0 111.936 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.88 105.65 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.36 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.662 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.443 HG12 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 10.1 m -106.07 89.71 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.443 ' CE2' HG12 ' A' ' 6' ' ' VAL . 8.1 m-85 -80.86 86.56 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 64.28 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.443 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.25 -43.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.726 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.21 134.4 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 111.107 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.7 m -127.56 138.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 11' ' ' ILE . 53.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.643 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 22.0 t . . . . . 0 C--O 1.232 0.149 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 m -97.79 111.19 23.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' ARG . 49.5 m-85 -153.33 -154.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.993 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' TYR . 3.9 ttp180 -3.22 -81.73 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.41 57.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.719 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 tp -176.55 154.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 42.9 m -140.57 120.23 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.957 0.408 . . . . 0.0 111.184 -179.729 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -88.09 116.55 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.55 67.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 54.5 -87.18 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.341 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.56 -56.02 4.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -89.98 110.69 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.745 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.1 t -102.67 120.78 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.914 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.809 0.338 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 14.3 m -109.11 163.82 12.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -139.61 84.76 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 33.3 57.04 0.5 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.321 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.1 -54.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 HD12 ' CE1' ' A' ' 13' ' ' TYR . 9.2 tt -98.08 146.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.7 m -122.5 86.23 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' HD12 ' A' ' 11' ' ' ILE . 4.8 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 42.9 t -125.07 130.97 53.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -114.34 -179.18 3.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -10.9 9.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.869 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -95.85 -35.4 5.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.329 -0.939 . . . . 0.0 113.079 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 7.7 tp 172.33 161.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 111.078 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' N ' HG13 ' A' ' 11' ' ' ILE . 6.2 m -99.46 105.55 17.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.045 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.15 0.5 . . . . 0.0 111.919 -178.947 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.979 0.419 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.9 m -68.02 114.15 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -105.7 -160.42 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.906 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.0 mmt180 -21.16 -54.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 38.76 0.39 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.673 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -175.35 139.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -102.85 110.06 21.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.122 -179.431 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' TYR . 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.686 0.279 . . . . 0.0 111.157 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 7.5 m -126.77 147.63 49.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.435 ' HB2' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -153.48 -168.07 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.223 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -29.4 -88.45 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.657 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.71 39.63 2.76 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.852 -179.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 pp -155.0 80.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 0.0 111.218 179.751 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -80.32 73.77 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 179.701 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.485 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 15.5 m-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.191 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -66.44 91.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.31 171.64 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 62.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.165 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.73 -35.14 0.23 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.094 179.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.476 ' CG1' ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -156.13 -162.79 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.5 0.191 . . . . 0.0 111.376 -179.35 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -142.19 94.79 2.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.562 -179.895 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' CG1' ' A' ' 11' ' ' ILE . 43.5 m-85 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' CG1' ' CE2' ' A' ' 8' ' ' TYR . 21.2 t . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -111.76 96.19 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' CE2' ' CG1' ' A' ' 6' ' ' VAL . 14.4 m-85 -120.65 156.36 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.567 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -71.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.46 34.14 0.08 OUTLIER Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -170.04 157.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.2 m -102.19 118.53 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.06 0.457 . . . . 0.0 111.051 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 11' ' ' ILE . 1.2 m-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.233 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.759 0.314 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 74.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.35 173.73 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.19 65.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.98 -24.77 2.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.732 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.406 ' CG1' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -117.96 154.76 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.616 -179.562 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -157.23 117.33 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 179.634 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 65.6 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' TYR . 12.0 p . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' TYR . 34.9 m -150.62 143.4 24.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 43.0 m-85 -159.22 142.6 14.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.0 0.429 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 49.65 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.703 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.41 -34.22 0.96 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.615 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 HG12 ' CE1' ' A' ' 13' ' ' TYR . 4.9 tt -66.08 166.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.673 0.273 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.69 104.45 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.412 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.58 179.433 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.773 0.321 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 4.2 m -76.74 169.32 18.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 0.0 111.261 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -158.46 119.44 3.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.93 -71.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.22 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.28 -33.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.901 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.26 140.46 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.797 -179.894 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 1.3 m -106.57 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.439 ' CZ ' HD13 ' A' ' 11' ' ' ILE . 40.9 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.467 0.407 0 N-CA-C 111.213 0.079 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.92 113.98 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -116.22 161.59 18.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 65.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.12 -29.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.044 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.485 HD12 HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -159.92 136.77 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 1.5 m -114.25 138.92 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE2' HD13 ' A' ' 11' ' ' ILE . 2.1 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.892 0.377 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -130.54 129.75 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -168.03 166.01 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 67.83 -68.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.13 39.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.505 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -165.11 139.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.817 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 1.2 m -103.04 116.81 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 43.9 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.679 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 7.1699999999999999 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' CE3' ' NH1' ' A' ' 17' ' ' ARG . 31.0 m95 -126.93 -81.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 7.0800000000000001 110.98 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.54 127.52 32.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.876 -0.602 . . . . 3.3100000000000001 110.825 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -148.03 79.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 7.4500000000000002 111.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -78.66 91.78 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 7.3399999999999999 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.9 p -145.47 158.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 5.2000000000000002 111.226 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 m -108.64 155.56 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 3.5 110.809 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.98 112.91 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 7.5999999999999996 110.954 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.0 -79.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 7.5300000000000002 110.987 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.15 27.09 2.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.659 -0.781 . . . . 3.71 112.549 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -135.69 124.15 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 4.7400000000000002 111.036 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.1 m -102.69 114.88 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 3.54 110.912 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 11' ' ' ILE . 5.4 m-85 -98.84 101.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 7.3300000000000001 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -87.35 -19.9 27.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.028 -0.533 . . . . 7.2400000000000002 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 142.84 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.373 -0.376 . . . . 7.4699999999999998 110.99 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.35 -20.45 57.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 3.73 111.155 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' NH1' ' CE3' ' A' ' 2' ' ' TRP . 16.9 mmm180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.201 -0.904 . . . . 8.9700000000000006 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -21.08 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.52 161.59 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.42 28.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 63.08 131.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.867 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.406 ' HB ' ' O ' ' A' ' 5' ' ' ARG . 0.8 OUTLIER 178.43 177.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.04 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 m -101.29 152.72 20.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -167.89 162.89 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.07 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.85 31.15 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.415 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 pp -161.1 174.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 m -117.6 102.84 9.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -136.79 -103.07 0.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -131.34 -81.17 0.52 Allowed 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.225 -0.297 . . . . 0.0 111.355 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 59.36 162.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.594 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.1 m -136.28 68.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.812 0.339 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 72.5 t90 61.45 86.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.454 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -130.02 -174.49 3.33 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -179.65 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.208 0.527 . . . . 0.0 112.261 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.623 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -61.12 145.62 50.35 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.741 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' CB ' ' O ' ' A' ' 5' ' ' ARG . 6.6 t 86.46 163.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.262 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 5.2 t -90.38 110.27 21.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 21.6 m-85 -91.55 101.89 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.04 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.909 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.91 -37.74 0.6 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.588 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 2.2 pp -90.65 152.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.022 0.411 . . . . 0.0 111.674 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.653 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -139.52 110.87 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.068 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.623 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 94.0 m-85 -154.42 -157.8 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 48.9 tpt85 -132.58 -7.35 3.25 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.84 143.89 43.34 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 122.074 -0.391 . . . . 0.0 111.633 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -128.91 176.5 7.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.913 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.4 tptt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 121.243 0.544 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -167.16 -154.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.721 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 t 76.7 129.82 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 61.03 69.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 7' ' ' CYS . 2.7 ptp180 -64.76 -18.17 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.645 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER 46.13 -86.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.574 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 5' ' ' ARG . 48.6 t -171.34 116.27 0.42 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.876 0.369 . . . . 0.0 111.047 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 7' ' ' CYS . 20.5 m-85 -137.12 155.82 49.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 66.27 -64.76 0.21 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -165.27 -27.23 0.02 OUTLIER Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.187 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 144.82 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.842 0.321 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 45.8 m -119.69 103.16 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.9 m-85 -138.41 165.33 27.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.657 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -140.79 92.01 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -146.75 131.12 17.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.38 80.27 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.831 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.752 0.31 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.46 ' CZ2' ' CB ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -108.26 127.78 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.305 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.53 ' N ' ' HB2' ' A' ' 16' ' ' CYS . 0.9 OUTLIER 174.0 67.7 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.54 75.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.391 . . . . 0.0 110.971 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 89.83 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -171.29 158.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.274 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.3 m -90.24 97.26 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 124.12 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 68.78 -67.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.91 36.28 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.441 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -163.42 132.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 5.5 m -86.86 109.92 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 37.6 m-85 -93.27 163.21 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -142.76 69.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' CB ' ' CZ2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER 178.62 130.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.53 ' HB2' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -73.01 -162.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.903 179.152 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.55 -162.51 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.53 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.835 0.35 . . . . 0.0 111.084 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.2 33.32 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.571 ' HB2' ' HA ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -73.53 -72.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.034 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.5 ' CB ' ' O ' ' A' ' 5' ' ' ARG . 38.3 t 98.84 132.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.75 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 48.2 m -116.04 105.15 12.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 21.4 m-85 -162.06 164.8 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.297 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 -146.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.295 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.49 20.96 34.84 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.099 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.439 ' CG1' ' CE2' ' A' ' 13' ' ' TYR . 8.2 tp -147.3 137.04 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 t -137.98 129.02 27.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 111.09 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.439 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 53.6 m-85 -147.56 154.63 40.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.849 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.571 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 1.8 tpt180 -174.56 87.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HD3' ' HG3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -83.2 -142.37 0.06 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.118 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 m 46.06 34.45 2.05 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.983 0.421 . . . . 0.0 111.53 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.25 0.548 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -178.43 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.455 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.93 130.27 0.04 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 110.734 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.3 p90 -148.74 81.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.66 113.3 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.452 ' CG2' ' CD2' ' A' ' 8' ' ' TYR . 14.2 p -179.28 146.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.7 m -101.09 107.39 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.452 ' CD2' ' CG2' ' A' ' 6' ' ' VAL . 31.7 m-85 -160.96 167.77 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.704 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.58 10.83 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.878 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.83 -22.4 35.54 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.252 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.509 ' CG1' ' HD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -106.0 177.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 111.04 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.503 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.3 m -127.43 76.75 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.687 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.509 ' HD1' ' CG1' ' A' ' 11' ' ' ILE . 2.1 m-85 -50.69 131.37 25.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -132.87 -174.31 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.94 158.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.8 173.33 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.918 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.921 0.391 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -101.76 32.44 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 41.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -159.24 147.52 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 61.76 79.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.151 0.5 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -155.57 -166.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.703 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 t -107.13 156.04 19.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.341 . . . . 0.0 111.194 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -133.13 124.33 27.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.255 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 53.85 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.324 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -120.81 -38.55 0.65 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 12' ' ' CYS . 8.8 tp -92.67 159.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.6 m -109.79 121.85 46.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.957 0.408 . . . . 0.0 110.669 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -132.45 157.57 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 83.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.8 -167.87 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 m -72.37 176.1 5.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.021 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.785 0.326 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER 63.06 130.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.465 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -107.63 -163.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.39 80.26 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.032 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -47.23 93.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.498 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 170.31 152.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.313 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.749 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 3.6 p -173.16 -173.55 0.94 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 7' ' ' CYS . 13.4 m-85 -166.3 -172.91 2.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.762 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -61.85 83.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.283 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . 171.31 -31.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.129 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.552 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.7 tp 166.86 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.749 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 79.3 m -127.03 135.75 51.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.14 0.495 . . . . 0.0 111.955 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -110.83 129.34 55.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.55 134.33 3.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 57.31 83.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 p 171.56 173.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.84 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.958 0.409 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.449 ' CE3' ' CZ ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -82.0 110.87 17.65 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.936 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.49 83.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -154.21 -75.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' HB2' ' N ' ' A' ' 15' ' ' ARG . 8.7 mmp_? 63.8 -174.88 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.415 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 179.31 157.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.254 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -89.41 124.19 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -128.43 156.34 43.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -18.08 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.46 -23.29 9.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.683 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.434 ' CG2' ' CE2' ' A' ' 13' ' ' TYR . 3.3 tp -173.34 121.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 27.3 t -95.2 92.69 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 75.4 m-85 -77.41 139.54 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' C ' ' A' ' 15' ' ' ARG . 9.4 tmm_? -108.22 117.75 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.53 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -7.8 123.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.718 0.807 . . . . 0.0 113.01 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.3 105.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -50.85 6.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.5 m -150.67 -78.85 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -175.96 114.95 0.13 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.449 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -92.87 71.82 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.517 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 5' ' ' ARG . 0.5 OUTLIER 177.92 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.9 m -92.91 116.72 29.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLY . 2.5 m-85 -120.74 177.26 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 33.48 -89.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.155 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -145.31 17.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.537 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.75 151.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -103.65 118.18 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.451 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -120.07 150.52 40.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.053 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -154.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.445 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 9.1 ttm180 -46.35 -29.04 1.51 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -179.21 -80.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.788 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.803 0.335 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -59.07 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.112 0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.18 29.2 3.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.019 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.04 -25.08 9.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.06 -143.01 0.72 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.764 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t 77.96 151.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.1 t -119.75 155.11 33.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.5 m-85 -132.22 60.02 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 54.73 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.006 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -55.66 -25.28 42.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.9 -0.666 . . . . 0.0 113.35 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 11' ' ' ILE . 6.0 tp -150.93 139.84 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 111.74 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -118.82 155.05 31.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -146.95 133.39 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -150.01 58.45 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.43 161.2 21.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.16 115.14 23.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.997 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.6 t90 60.8 83.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -93.68 -27.16 16.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.137 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 3' ' ' CYS . 4.6 p90 44.95 -172.32 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.572 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -175.18 89.25 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 p -179.3 138.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 t -90.04 111.63 22.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.3 150.63 20.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -45.85 -34.16 3.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.536 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.36 -49.4 7.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -151.68 174.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -96.05 86.48 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.79 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CD1' HG12 ' A' ' 11' ' ' ILE . 7.8 m-85 -68.01 106.63 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' CD ' ' N ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -175.15 146.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.815 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 67.29 38.67 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.144 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m 62.5 135.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.918 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 61.71 57.33 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.54 60.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.38 61.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.8 129.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -89.81 130.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.32 106.84 17.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.22 168.93 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 64.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 -26.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.673 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -169.64 154.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.641 0.257 . . . . 0.0 110.94 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -99.1 105.45 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.958 0.409 . . . . 0.0 111.058 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -72.78 155.99 39.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 5.4 mtp-105 -85.43 -158.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 14' ' ' ARG . 36.9 mmm-85 79.31 -85.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.306 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.33 -166.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.948 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.408 ' HA ' ' HG3' ' A' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.431 ' CZ2' ' HB ' ' A' ' 6' ' ' VAL . 2.1 p90 -179.2 130.02 0.11 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.789 0.328 . . . . 0.0 110.817 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -100.23 80.73 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.79 -68.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.522 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.44 131.33 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.592 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' HB ' ' CZ2' ' A' ' 2' ' ' TRP . 14.3 p -118.26 158.82 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.451 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 m -118.8 130.45 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -134.1 125.61 28.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.88 -31.23 0.45 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -97.28 152.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.861 0.363 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.4 m -123.77 121.55 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -111.03 171.69 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -68.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.11 -172.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.76 -166.49 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 1' ' ' LYS . 3.3 mpt_? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.33 31.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -150.86 78.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 3' ' ' CYS . 65.3 m-85 -157.05 110.05 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -56.05 152.09 10.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.551 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.474 HG12 ' O ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER 46.94 -166.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.127 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 61.2 m -74.86 176.79 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 170.85 105.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.717 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 4.1 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.796 0.838 . . . . 0.0 113.19 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 168.92 -50.13 0.22 Allowed Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.643 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 HG23 ' C ' ' A' ' 10' ' ' GLY . 5.7 pt -155.1 -171.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.1 0.476 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.1 m -140.19 96.54 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.321 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -141.73 177.86 7.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 0.0 111.337 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.7 mmt-85 -136.23 166.42 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 0.6 OUTLIER 59.36 167.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.71 179.72 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.685 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.838 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -137.33 -89.03 0.26 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 41.5 t -114.78 -17.29 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.301 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.0 172.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.734 0.302 . . . . 0.0 110.787 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -59.09 158.97 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.9 p -168.88 154.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 76.0 m -117.48 137.1 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.756 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' GLY . 17.7 m-85 -159.45 -102.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.647 ' O ' HG22 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.02 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.133 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 32.89 33.06 0.01 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.626 -0.715 . . . . 0.0 114.336 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.647 HG22 ' O ' ' A' ' 9' ' ' ARG . 10.3 pt -155.03 172.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 117.185 0.492 . . . . 0.0 111.936 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.88 105.65 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.36 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -150.94 -168.28 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -116.41 125.22 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.145 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -127.71 145.34 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.731 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 3.1 t -102.38 51.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 mmt-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.863 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -171.27 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.3 m 72.26 107.3 0.07 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.262 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.1 52.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' O ' ' CG2' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -49.94 128.58 18.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.227 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG12 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER 178.82 126.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 10.1 m -106.07 89.71 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' CE2' HG12 ' A' ' 6' ' ' VAL . 8.1 m-85 -80.86 86.56 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 64.28 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.443 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.25 -43.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.726 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -75.21 134.4 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 111.107 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 69.7 m -127.56 138.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.409 ' CE2' HD11 ' A' ' 11' ' ' ILE . 53.3 m-85 -111.73 160.52 17.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.643 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.32 160.89 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -111.91 177.55 4.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 111.157 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 17' ' ' ARG . 0.7 OUTLIER 176.96 -31.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 16' ' ' CYS . 1.4 mmt85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.583 0.23 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.455 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 2.6 p-90 -56.96 122.92 13.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.79 0.329 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 171.27 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 78.21 98.36 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' NE ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -148.38 113.33 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.138 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 22.0 t -68.8 61.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.893 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 m -97.79 111.19 23.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' ARG . 49.5 m-85 -153.33 -154.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.993 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' TYR . 3.9 ttp180 -3.22 -81.73 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.41 57.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.719 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.2 tp -176.55 154.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.434 ' HB3' ' NE ' ' A' ' 5' ' ' ARG . 42.9 m -140.57 120.23 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.99 156.94 40.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.957 0.408 . . . . 0.0 111.184 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.79 69.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -57.05 112.51 1.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 0.2 OUTLIER 45.07 -165.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.573 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.005 -179.674 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.417 ' HG3' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.145 0.498 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.6 m95 47.59 95.17 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.406 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 64.13 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.321 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 1.8 m-85 -109.93 -26.27 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.742 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 60.85 87.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.215 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -172.99 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -88.09 116.55 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.55 67.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 54.5 -87.18 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.341 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.56 -56.02 4.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -89.98 110.69 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.745 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.1 t -102.67 120.78 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -98.19 34.32 1.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 6.1 ttp85 -80.07 -21.21 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.7 tpt85 -90.39 161.54 15.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.95 -70.3 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.064 0.459 . . . . 0.0 111.036 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 tptt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.9 t90 66.6 -74.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 m 52.09 98.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.19 52.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.56 116.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.3 t -154.0 122.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 14.3 m -109.11 163.82 12.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -139.61 84.76 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 33.3 57.04 0.5 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.321 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.1 -54.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 HD12 ' CE1' ' A' ' 13' ' ' TYR . 9.2 tt -98.08 146.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.7 m -122.5 86.23 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE1' HD12 ' A' ' 11' ' ' ILE . 4.8 m-85 -64.69 81.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -95.25 62.44 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.975 0.416 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -159.44 -40.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.261 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -179.51 93.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.791 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.444 ' CD ' ' CD2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.819 0.342 . . . . 0.0 111.099 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -101.53 102.68 13.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 61.2 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' ' CD ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER 61.11 119.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.975 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 14' ' ' ARG . 9.7 ttm180 -58.84 104.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.564 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 23.8 t -152.07 159.89 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 111.506 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 42.9 t -125.07 130.97 53.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -114.34 -179.18 3.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -10.9 9.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.869 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.495 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -95.85 -35.4 5.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.329 -0.939 . . . . 0.0 113.079 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.495 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 7.7 tp 172.33 161.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 111.078 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' N ' HG13 ' A' ' 11' ' ' ILE . 6.2 m -99.46 105.55 17.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.045 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -132.68 174.18 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.15 0.5 . . . . 0.0 111.919 -178.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -165.13 -88.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.211 179.574 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 35.6 65.46 0.41 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.907 179.37 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 t -78.02 113.53 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.39 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.841 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.957 0.408 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 17' ' ' ARG . 8.8 m95 59.72 176.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.997 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HB3' ' CA ' ' A' ' 16' ' ' CYS . 25.8 t -127.74 2.72 6.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.392 -179.732 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.4 OUTLIER 75.76 -158.76 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.552 0.215 . . . . 0.0 110.644 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.15 146.55 21.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.774 0.321 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.93 78.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.9 m -68.02 114.15 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -105.7 -160.42 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.906 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.0 mmt180 -21.16 -54.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 38.76 0.39 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.673 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -175.35 139.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.3 m -102.85 110.06 21.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 14' ' ' ARG . 2.0 m-85 -95.92 -167.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.122 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 25.5 mmm-85 73.48 0.28 3.6 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.929 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER 53.54 -89.19 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.4 0.143 . . . . 0.0 111.016 179.818 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' CA ' ' HB3' ' A' ' 3' ' ' CYS . 2.0 m 58.12 -85.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.777 0.322 . . . . 0.0 111.251 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 1.7 tpt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.611 0.243 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 56.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 14' ' ' ARG . 2.6 t -132.24 137.92 47.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 11.6 t80 -174.41 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.378 . . . . 0.0 111.787 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 21.1 mmt85 -104.9 -111.96 0.26 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.774 -178.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -147.7 -177.08 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.686 0.279 . . . . 0.0 111.157 -179.313 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 7.5 m -126.77 147.63 49.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.435 ' HB2' HD11 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -153.48 -168.07 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.223 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -29.4 -88.45 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.657 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.71 39.63 2.76 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.852 -179.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 pp -155.0 80.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 0.0 111.218 179.751 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -80.32 73.77 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 179.701 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 15.5 m-30 -68.26 75.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.191 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER 67.98 -97.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 179.093 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.89 41.43 17.86 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-O 120.942 0.401 . . . . 0.0 110.79 -179.043 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' H ' ' HA ' ' A' ' 3' ' ' CYS . 2.7 m 43.28 43.05 3.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.512 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.787 -179.901 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.886 0.374 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -133.24 169.18 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 58.24 75.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.33 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -98.58 -101.55 0.21 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.477 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.483 ' HA ' ' HB2' ' A' ' 14' ' ' ARG . 6.6 tpp180 174.82 133.7 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.867 0.365 . . . . 0.0 111.399 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.23 111.65 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.571 179.323 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -66.44 91.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.31 171.64 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 62.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.165 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 166.73 -35.14 0.23 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.094 179.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.476 ' CG1' ' CD2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -156.13 -162.79 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.5 0.191 . . . . 0.0 111.376 -179.35 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -142.19 94.79 2.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.562 -179.895 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' CG1' ' A' ' 11' ' ' ILE . 43.5 m-85 -151.86 146.99 26.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -95.32 -166.29 1.43 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.954 0.407 . . . . 0.0 111.08 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -141.32 24.2 2.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.82 24.41 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 17.1 m95 61.32 151.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . 1.2 m -179.43 95.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 111.573 179.264 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 75.5 t80 170.02 79.7 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' HG2' ' HB2' ' A' ' 15' ' ' ARG . 15.6 tpp85 -108.86 -109.08 0.33 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.531 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.448 ' CG1' ' CE2' ' A' ' 8' ' ' TYR . 21.2 t -72.72 117.68 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.514 -179.256 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -111.76 96.19 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' CE2' ' CG1' ' A' ' 6' ' ' VAL . 14.4 m-85 -120.65 156.36 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.567 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -71.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.46 34.14 0.08 OUTLIER Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -170.04 157.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.2 m -102.19 118.53 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.06 0.457 . . . . 0.0 111.051 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' O ' ' HB2' ' A' ' 14' ' ' ARG . 1.2 m-85 -126.26 -163.81 1.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.233 -179.35 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.1 mmt85 81.02 -91.48 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.52 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 0.9 OUTLIER -108.62 -176.67 3.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.662 0.267 . . . . 0.0 110.491 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 1.2 m -135.35 86.02 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.797 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.822 0.344 . . . . 0.0 111.31 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.407 ' CH2' ' HB3' ' A' ' 16' ' ' CYS . 19.4 t-105 57.32 164.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.012 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 6.0 p -67.44 141.63 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -112.66 56.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.041 179.407 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.96 91.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.663 -179.285 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' PHE . 39.5 t -156.51 117.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.63 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 74.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.35 173.73 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.19 65.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.98 -24.77 2.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.732 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.406 ' CG1' ' CE2' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -117.96 154.76 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.616 -179.562 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -157.23 117.33 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 179.634 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 65.6 m-85 -149.36 118.24 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.05 38.43 0.66 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.023 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.55 93.92 9.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 58.6 m -81.84 83.98 7.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.812 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -167.1 82.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 1.7 p -179.79 -178.78 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.86 143.1 2.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 118.8 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 13' ' ' TYR . 12.0 p -177.72 159.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 8' ' ' TYR . 34.9 m -150.62 143.4 24.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 43.0 m-85 -159.22 142.6 14.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.0 0.429 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 49.65 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.703 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.41 -34.22 0.96 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.615 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HG12 ' CE1' ' A' ' 13' ' ' TYR . 4.9 tt -66.08 166.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.673 0.273 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.69 104.45 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.412 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' VAL . 16.6 m-30 -96.01 33.47 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.58 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.37 -43.94 98.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mtm-85 -74.94 -67.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.235 0.54 . . . . 0.0 110.563 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.1 OUTLIER 169.93 97.46 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.919 179.583 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.736 -179.96 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 39.9 p-90 -177.2 134.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t -176.02 -92.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 69.46 116.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 11.0 mtm180 56.91 113.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.334 179.345 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.413 ' HB ' ' HB3' ' A' ' 16' ' ' CYS . 1.6 p -170.99 -179.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.426 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 4.2 m -76.74 169.32 18.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 0.0 111.261 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -158.46 119.44 3.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.93 -71.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.22 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.28 -33.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.901 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.491 HD12 HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.26 140.46 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.797 -179.894 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 1.3 m -106.57 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.439 ' CZ ' HD13 ' A' ' 11' ' ' ILE . 40.9 m-85 -114.96 92.52 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 5' ' ' ARG . 2.4 mmt85 75.08 -142.59 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -152.45 155.65 37.92 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.33 . . . . 0.0 111.405 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -165.29 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.072 0.463 . . . . 0.0 111.08 179.445 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.705 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 3' ' ' CYS . 1.7 tmtp? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.055 0.455 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 65.77 -72.34 0.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.051 179.871 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 56.73 29.45 15.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -57.39 -92.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.694 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.511 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 1.8 mmp_? 48.78 -156.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.077 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.511 ' HB ' ' O ' ' A' ' 5' ' ' ARG . 44.6 t 96.27 -108.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.042 0.537 . . . . 0.0 111.213 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.92 113.98 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 -179.74 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -116.22 161.59 18.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 65.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.12 -29.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.044 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.485 HD12 HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -159.92 136.77 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 1.5 m -114.25 138.92 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' CE2' HD13 ' A' ' 11' ' ' ILE . 2.1 m-85 -130.8 163.22 27.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -49.07 -91.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.652 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HD2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -167.05 -37.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 111.547 -179.845 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 15' ' ' ARG . 1.4 m -164.66 114.77 1.17 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.995 0.426 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.44 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 2.1 t90 66.21 14.01 9.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 63.9 86.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.3 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -171.48 175.07 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -72.78 87.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.81 135.02 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -130.54 129.75 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -168.03 166.01 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 67.83 -68.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.13 39.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.505 HG22 HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -165.11 139.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.817 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' N ' ' CD1' ' A' ' 11' ' ' ILE . 1.2 m -103.04 116.81 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 43.9 m-85 -112.19 129.16 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.679 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -29.25 25.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.99 -164.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 179.616 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -104.58 -160.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 5.0 mtm-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 7' ' ' CYS . 11.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.885 0.374 . . . . 4.7400000000000002 111.226 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 6' ' ' VAL . 6.7 m -108.64 155.56 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 3.2599999999999998 110.809 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.98 112.91 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 7.3600000000000003 110.954 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.0 -79.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 6.8200000000000003 110.987 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.15 27.09 2.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.659 -0.781 . . . . 3.71 112.549 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.772 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -135.69 124.15 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 4.4699999999999998 111.036 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.688 ' N ' HD13 ' A' ' 11' ' ' ILE . 22.1 m -102.69 114.88 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 3.3599999999999999 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.772 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 7.1100000000000003 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.836 0.351 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.587 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.3 m -101.29 152.72 20.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -167.89 162.89 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.07 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -165.85 31.15 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.415 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 10' ' ' GLY . 1.9 pp -161.1 174.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 m -117.6 102.84 9.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 11' ' ' ILE . 22.6 m-85 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 7' ' ' CYS . 6.6 t . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 5.2 t -90.38 110.27 21.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 21.6 m-85 -91.55 101.89 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.04 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.909 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.91 -37.74 0.6 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.588 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 2.2 pp -90.65 152.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.022 0.411 . . . . 0.0 111.674 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -139.52 110.87 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.068 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 -179.308 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.719 HG22 ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.719 ' N ' HG22 ' A' ' 6' ' ' VAL . 48.6 t -171.34 116.27 0.42 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.876 0.369 . . . . 0.0 111.047 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' GLY . 20.5 m-85 -137.12 155.82 49.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 66.27 -64.76 0.21 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -165.27 -27.23 0.02 OUTLIER Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.187 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 144.82 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.842 0.321 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 45.8 m -119.69 103.16 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' VAL . 6.9 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.7 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.826 0.346 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.3 m -90.24 97.26 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 124.12 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 68.78 -67.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.91 36.28 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -163.42 132.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 5.5 m -86.86 109.92 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 37.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.861 0.362 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 48.2 m -116.04 105.15 12.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 21.4 m-85 -162.06 164.8 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.297 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 -146.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.295 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.49 20.96 34.84 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.099 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 8.2 tp -147.3 137.04 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 t -137.98 129.02 27.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 111.09 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 53.6 m-85 . . . . . 0 C--O 1.235 0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.849 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 8' ' ' TYR . 14.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.625 0.25 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.7 m -101.09 107.39 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.532 ' CD2' HG22 ' A' ' 6' ' ' VAL . 31.7 m-85 -160.96 167.77 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.704 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.58 10.83 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.878 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.83 -22.4 35.54 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.252 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -106.0 177.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 111.04 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.511 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.3 m -127.43 76.75 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.687 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HD1' ' CG1' ' A' ' 11' ' ' ILE . 2.1 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.547 0.213 . . . . 0.0 110.703 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 t -107.13 156.04 19.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.341 . . . . 0.0 111.194 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -133.13 124.33 27.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.255 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 53.85 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.324 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -120.81 -38.55 0.65 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 12' ' ' CYS . 8.8 tp -92.67 159.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.6 m -109.79 121.85 46.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.957 0.408 . . . . 0.0 110.669 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.718 0.294 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.781 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 3.6 p -173.16 -173.55 0.94 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 7' ' ' CYS . 13.4 m-85 -166.3 -172.91 2.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.762 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -61.85 83.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.283 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . 171.31 -31.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.129 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.7 tp 166.86 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.781 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 79.3 m -127.03 135.75 51.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.14 0.495 . . . . 0.0 111.955 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.235 0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.921 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.254 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -89.41 124.19 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -128.43 156.34 43.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -18.08 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.46 -23.29 9.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.683 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' CZ ' ' A' ' 13' ' ' TYR . 3.3 tp -173.34 121.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 27.3 t -95.2 92.69 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 75.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.613 0.244 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.634 ' N ' HG13 ' A' ' 6' ' ' VAL . 16.9 m -92.91 116.72 29.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLY . 2.5 m-85 -120.74 177.26 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 33.48 -89.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.155 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -145.31 17.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.537 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.75 151.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -103.65 118.18 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.053 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.1 t -119.75 155.11 33.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.5 m-85 -132.22 60.02 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 54.73 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.006 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -55.66 -25.28 42.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.9 -0.666 . . . . 0.0 113.35 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.433 HD12 ' H ' ' A' ' 12' ' ' CYS . 6.0 tp -150.93 139.84 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 111.74 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' H ' HD12 ' A' ' 11' ' ' ILE . 77.9 m -118.82 155.05 31.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.792 0.33 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 t -90.04 111.63 22.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.3 150.63 20.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -45.85 -34.16 3.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.536 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.36 -49.4 7.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -151.68 174.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -96.05 86.48 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.79 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 11' ' ' ILE . 7.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 13' ' ' TYR . 12.3 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.32 106.84 17.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.22 168.93 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 64.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 -26.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.673 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -169.64 154.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.641 0.257 . . . . 0.0 110.94 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -99.1 105.45 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.958 0.409 . . . . 0.0 111.058 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HB2' HG13 ' A' ' 6' ' ' VAL . 4.3 m-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 7' ' ' CYS . 14.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 6' ' ' VAL . 36.8 m -118.8 130.45 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -134.1 125.61 28.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.88 -31.23 0.45 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -97.28 152.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.861 0.363 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.4 m -123.77 121.55 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.693 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 120.613 0.244 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.693 ' N ' HG13 ' A' ' 6' ' ' VAL . 61.2 m -74.86 176.79 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 170.85 105.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.717 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 4.1 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.796 0.838 . . . . 0.0 113.19 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 168.92 -50.13 0.22 Allowed Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.643 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 13' ' ' TYR . 5.7 pt -155.1 -171.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.1 0.476 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.1 m -140.19 96.54 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.321 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 11' ' ' ILE . 30.9 m-85 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 0.0 111.337 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.9 p . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 6' ' ' VAL . 76.0 m -117.48 137.1 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.756 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' GLY . 17.7 m-85 -159.45 -102.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.02 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.133 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 32.89 33.06 0.01 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.626 -0.715 . . . . 0.0 114.336 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 9' ' ' ARG . 10.3 pt -155.03 172.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 117.185 0.492 . . . . 0.0 111.936 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.88 105.65 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.36 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD2' HD12 ' A' ' 11' ' ' ILE . 70.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.49 HG11 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 10.1 m -106.07 89.71 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' CE2' HG11 ' A' ' 6' ' ' VAL . 8.1 m-85 -80.86 86.56 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 64.28 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.443 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -115.25 -43.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.726 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -75.21 134.4 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 111.107 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' ILE . 69.7 m -127.56 138.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CE2' HD12 ' A' ' 11' ' ' ILE . 53.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.643 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 22.0 t . . . . . 0 C--O 1.232 0.149 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 m -97.79 111.19 23.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' ARG . 49.5 m-85 -153.33 -154.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.993 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' TYR . 3.9 ttp180 -3.22 -81.73 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.41 57.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.719 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 8.2 tp -176.55 154.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 42.9 m -140.57 120.23 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.957 0.408 . . . . 0.0 111.184 -179.729 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -88.09 116.55 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.55 67.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 54.5 -87.18 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.341 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.56 -56.02 4.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.4 tp -89.98 110.69 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.745 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.1 t -102.67 120.78 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.6 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.809 0.338 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 14.3 m -109.11 163.82 12.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -139.61 84.76 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 33.3 57.04 0.5 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.321 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.1 -54.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' HE1' ' A' ' 13' ' ' TYR . 9.2 tt -98.08 146.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.7 m -122.5 86.23 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' HE1' HD13 ' A' ' 11' ' ' ILE . 4.8 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' CYS . 23.8 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 42.9 t -125.07 130.97 53.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -114.34 -179.18 3.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -10.9 9.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.869 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -95.85 -35.4 5.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.329 -0.939 . . . . 0.0 113.079 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 7.7 tp 172.33 161.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 111.078 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 6.2 m -99.46 105.55 17.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.045 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.15 0.5 . . . . 0.0 111.919 -178.947 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.979 0.419 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.9 m -68.02 114.15 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -105.7 -160.42 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.906 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.0 mmt180 -21.16 -54.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 38.76 0.39 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.673 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -175.35 139.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.874 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -102.85 110.06 21.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.816 ' CD1' HD12 ' A' ' 11' ' ' ILE . 2.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.122 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.686 0.279 . . . . 0.0 111.157 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.628 ' H ' HG22 ' A' ' 6' ' ' VAL . 7.5 m -126.77 147.63 49.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -153.48 -168.07 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.223 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -29.4 -88.45 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.657 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.71 39.63 2.76 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.852 -179.314 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.2 pp -155.0 80.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 0.0 111.218 179.751 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -80.32 73.77 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 179.701 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.473 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 15.5 m-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.191 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.571 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -66.44 91.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.31 171.64 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 62.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.165 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 11' ' ' ILE . . . 166.73 -35.14 0.23 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.094 179.457 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.546 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -156.13 -162.79 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.5 0.191 . . . . 0.0 111.376 -179.35 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -142.19 94.79 2.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.562 -179.895 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' CG1' ' A' ' 11' ' ' ILE . 43.5 m-85 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' CG1' ' CE2' ' A' ' 8' ' ' TYR . 21.2 t . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -111.76 96.19 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' CE2' ' CG1' ' A' ' 6' ' ' VAL . 14.4 m-85 -120.65 156.36 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.567 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -71.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.46 34.14 0.08 OUTLIER Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.945 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -170.04 157.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.945 ' N ' HD13 ' A' ' 11' ' ' ILE . 39.2 m -102.19 118.53 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.06 0.457 . . . . 0.0 111.051 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.811 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.2 m-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.233 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.759 0.314 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 74.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.698 ' HB2' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.35 173.73 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.847 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.19 65.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.98 -24.77 2.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.732 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -117.96 154.76 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.616 -179.562 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -157.23 117.33 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 179.634 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 65.6 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 7' ' ' CYS . 12.0 p . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' N ' HG22 ' A' ' 6' ' ' VAL . 34.9 m -150.62 143.4 24.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 43.0 m-85 -159.22 142.6 14.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.0 0.429 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 49.65 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.703 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.41 -34.22 0.96 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.615 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.412 HG12 ' CE1' ' A' ' 13' ' ' TYR . 4.9 tt -66.08 166.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.673 0.273 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.69 104.45 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.412 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.58 179.433 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 7' ' ' CYS . 1.6 p . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.773 0.321 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.694 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.2 m -76.74 169.32 18.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 0.0 111.261 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -158.46 119.44 3.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.93 -71.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.22 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.28 -33.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.901 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -81.26 140.46 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.797 -179.894 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.937 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -106.57 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 11' ' ' ILE . 40.9 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 7' ' ' CYS . 44.6 t . . . . . 0 N--CA 1.467 0.407 0 N-CA-C 111.213 0.079 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -175.92 113.98 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 -179.74 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -116.22 161.59 18.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 65.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.12 -29.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.044 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.919 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -159.92 136.77 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.919 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.5 m -114.25 138.92 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD2' HD12 ' A' ' 11' ' ' ILE . 2.1 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.892 0.377 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -130.54 129.75 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -168.03 166.01 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 67.83 -68.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.13 39.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.909 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -165.11 139.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.817 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.909 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.2 m -103.04 116.81 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 11' ' ' ILE . 43.9 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.679 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 6.75 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' CE3' ' NH1' ' A' ' 17' ' ' ARG . 31.0 m95 -126.93 -81.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 6.1900000000000004 110.98 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.54 127.52 32.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.876 -0.602 . . . . 3.3100000000000001 110.825 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -148.03 79.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 6.54 111.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -78.66 91.78 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 6.6699999999999999 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 7' ' ' CYS . 11.9 p -145.47 158.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 4.7400000000000002 111.226 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 6' ' ' VAL . 6.7 m -108.64 155.56 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 3.2599999999999998 110.809 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.98 112.91 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 7.3600000000000003 110.954 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.0 -79.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 6.8200000000000003 110.987 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.15 27.09 2.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.659 -0.781 . . . . 3.71 112.549 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.772 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -135.69 124.15 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 4.4699999999999998 111.036 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.688 ' N ' HD13 ' A' ' 11' ' ' ILE . 22.1 m -102.69 114.88 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 3.3599999999999999 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.772 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.4 m-85 -98.84 101.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 7.1100000000000003 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -87.35 -19.9 27.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.028 -0.533 . . . . 6.54 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 142.84 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.373 -0.376 . . . . 6.8399999999999999 110.99 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.35 -20.45 57.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 3.73 111.155 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' NH1' ' CE3' ' A' ' 2' ' ' TRP . 16.9 mmm180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.201 -0.904 . . . . 8.4600000000000009 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -21.08 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.52 161.59 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.42 28.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 63.08 131.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.867 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 178.43 177.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.04 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.587 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.3 m -101.29 152.72 20.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -167.89 162.89 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.07 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -165.85 31.15 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.415 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 10' ' ' GLY . 1.9 pp -161.1 174.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 m -117.6 102.84 9.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 11' ' ' ILE . 22.6 m-85 -136.79 -103.07 0.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -131.34 -81.17 0.52 Allowed 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.225 -0.297 . . . . 0.0 111.355 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 59.36 162.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.594 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.1 m -136.28 68.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.747 ' HA ' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.812 0.339 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 72.5 t90 61.45 86.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -130.02 -174.49 3.33 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -179.65 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.208 0.527 . . . . 0.0 112.261 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.647 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -61.12 145.62 50.35 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.741 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 5' ' ' ARG . 6.6 t 86.46 163.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.262 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 5.2 t -90.38 110.27 21.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 21.6 m-85 -91.55 101.89 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.04 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.909 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.91 -37.74 0.6 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.588 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.747 HG21 ' HA ' ' A' ' 1' ' ' LYS . 2.2 pp -90.65 152.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.022 0.411 . . . . 0.0 111.674 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -139.52 110.87 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.068 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 94.0 m-85 -154.42 -157.8 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 48.9 tpt85 -132.58 -7.35 3.25 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' NE1' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -136.84 143.89 43.34 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 122.074 -0.391 . . . . 0.0 111.633 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -128.91 176.5 7.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.913 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.4 tptt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 121.243 0.544 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -167.16 -154.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.721 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 t 76.7 129.82 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 61.03 69.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 7' ' ' CYS . 2.7 ptp180 -64.76 -18.17 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.645 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.719 HG22 ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER 46.13 -86.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.574 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.719 ' N ' HG22 ' A' ' 6' ' ' VAL . 48.6 t -171.34 116.27 0.42 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.876 0.369 . . . . 0.0 111.047 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' GLY . 20.5 m-85 -137.12 155.82 49.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 66.27 -64.76 0.21 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -165.27 -27.23 0.02 OUTLIER Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.187 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 144.82 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.842 0.321 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 45.8 m -119.69 103.16 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 6.9 m-85 -138.41 165.33 27.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.657 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -140.79 92.01 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -146.75 131.12 17.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.38 80.27 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.831 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.752 0.31 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -108.26 127.78 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.305 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' N ' ' HB2' ' A' ' 16' ' ' CYS . 0.9 OUTLIER 174.0 67.7 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.54 75.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.391 . . . . 0.0 110.971 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 89.83 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.7 p -171.29 158.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.274 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.3 m -90.24 97.26 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 124.12 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 68.78 -67.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.91 36.28 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -163.42 132.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 5.5 m -86.86 109.92 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 37.6 m-85 -93.27 163.21 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -142.76 69.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER 178.62 130.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -73.01 -162.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.903 179.152 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.55 -162.51 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.53 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.835 0.35 . . . . 0.0 111.084 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.2 33.32 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.587 ' HB2' ' HA ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -73.53 -72.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.034 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' ARG . 38.3 t 98.84 132.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.75 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 48.2 m -116.04 105.15 12.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 21.4 m-85 -162.06 164.8 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.297 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 -146.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.295 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.49 20.96 34.84 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.099 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 8.2 tp -147.3 137.04 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 t -137.98 129.02 27.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 111.09 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 53.6 m-85 -147.56 154.63 40.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.849 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.587 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 1.8 tpt180 -174.56 87.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD3' ' HG3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -83.2 -142.37 0.06 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.118 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 m 46.06 34.45 2.05 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.983 0.421 . . . . 0.0 111.53 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.25 0.548 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -178.43 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.455 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.93 130.27 0.04 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 110.734 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 2.3 p90 -148.74 81.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.66 113.3 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 8' ' ' TYR . 14.2 p -179.28 146.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.7 m -101.09 107.39 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.532 ' CD2' HG22 ' A' ' 6' ' ' VAL . 31.7 m-85 -160.96 167.77 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.704 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.58 10.83 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.878 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.83 -22.4 35.54 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.252 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -106.0 177.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 111.04 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.511 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.3 m -127.43 76.75 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.687 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HD1' ' CG1' ' A' ' 11' ' ' ILE . 2.1 m-85 -50.69 131.37 25.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -132.87 -174.31 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.94 158.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.8 173.33 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.918 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.921 0.391 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -101.76 32.44 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 41.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -159.24 147.52 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 61.76 79.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.151 0.5 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.717 HG11 ' HA ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -155.57 -166.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.703 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 t -107.13 156.04 19.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.341 . . . . 0.0 111.194 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -133.13 124.33 27.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.255 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 53.85 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.324 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -120.81 -38.55 0.65 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 12' ' ' CYS . 8.8 tp -92.67 159.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.6 m -109.79 121.85 46.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.957 0.408 . . . . 0.0 110.669 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -132.45 157.57 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 83.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.8 -167.87 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 m -72.37 176.1 5.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.021 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.717 ' HA ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.785 0.326 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER 63.06 130.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -107.63 -163.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.39 80.26 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.032 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -47.23 93.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.498 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 170.31 152.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.313 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.781 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 3.6 p -173.16 -173.55 0.94 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 7' ' ' CYS . 13.4 m-85 -166.3 -172.91 2.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.762 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -61.85 83.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.283 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . 171.31 -31.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.129 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.7 tp 166.86 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.781 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 79.3 m -127.03 135.75 51.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.14 0.495 . . . . 0.0 111.955 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -110.83 129.34 55.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.55 134.33 3.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 57.31 83.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 p 171.56 173.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.84 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.958 0.409 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.449 ' CE3' ' CZ ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -82.0 110.87 17.65 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.936 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.49 83.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -154.21 -75.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.787 ' O ' HG23 ' A' ' 6' ' ' VAL . 8.7 mmp_? 63.8 -174.88 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.415 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 179.31 157.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.254 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -89.41 124.19 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -128.43 156.34 43.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -18.08 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.46 -23.29 9.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.683 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' CZ ' ' A' ' 13' ' ' TYR . 3.3 tp -173.34 121.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 27.3 t -95.2 92.69 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 75.4 m-85 -77.41 139.54 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' C ' ' A' ' 15' ' ' ARG . 9.4 tmm_? -108.22 117.75 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.53 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -7.8 123.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.718 0.807 . . . . 0.0 113.01 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.3 105.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -50.85 6.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.5 m -150.67 -78.85 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -175.96 114.95 0.13 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.449 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -92.87 71.82 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.517 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 177.92 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.634 ' N ' HG13 ' A' ' 6' ' ' VAL . 16.9 m -92.91 116.72 29.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLY . 2.5 m-85 -120.74 177.26 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 33.48 -89.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.155 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -145.31 17.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.537 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.75 151.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -103.65 118.18 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -120.07 150.52 40.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.053 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -154.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 9.1 ttm180 -46.35 -29.04 1.51 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -179.21 -80.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.788 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.803 0.335 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -59.07 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.112 0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.18 29.2 3.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.019 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -112.04 -25.08 9.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.188 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' C ' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 57.06 -143.01 0.72 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.764 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 4' ' ' PHE . 6.4 t 77.96 151.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.1 t -119.75 155.11 33.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.5 m-85 -132.22 60.02 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 54.73 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.006 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -55.66 -25.28 42.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.9 -0.666 . . . . 0.0 113.35 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.433 HD12 ' H ' ' A' ' 12' ' ' CYS . 6.0 tp -150.93 139.84 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 111.74 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' H ' HD12 ' A' ' 11' ' ' ILE . 77.9 m -118.82 155.05 31.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -146.95 133.39 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -150.01 58.45 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.43 161.2 21.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.16 115.14 23.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.997 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.6 t90 60.8 83.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -93.68 -27.16 16.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.137 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 3' ' ' CYS . 4.6 p90 44.95 -172.32 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.572 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -175.18 89.25 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 p -179.3 138.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 t -90.04 111.63 22.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.3 150.63 20.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -45.85 -34.16 3.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.536 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.36 -49.4 7.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -151.68 174.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -96.05 86.48 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.79 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 11' ' ' ILE . 7.8 m-85 -68.01 106.63 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' CD ' ' N ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -175.15 146.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.815 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 67.29 38.67 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.144 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m 62.5 135.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 17' ' ' ARG . 8.6 mmm180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 61.71 57.33 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.54 60.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.38 61.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.8 129.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 13' ' ' TYR . 12.3 p -89.81 130.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.32 106.84 17.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.22 168.93 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 64.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 -26.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.673 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -169.64 154.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.641 0.257 . . . . 0.0 110.94 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -99.1 105.45 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.958 0.409 . . . . 0.0 111.058 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HB2' HG13 ' A' ' 6' ' ' VAL . 4.3 m-30 -72.78 155.99 39.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.091 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -85.43 -158.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 79.31 -85.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.306 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.33 -166.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.948 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.473 ' H2 ' ' HE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.473 ' HE3' ' H2 ' ' A' ' 1' ' ' LYS . 2.1 p90 -179.2 130.02 0.11 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.789 0.328 . . . . 0.0 110.817 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -100.23 80.73 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.79 -68.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.522 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.44 131.33 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.592 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 15' ' ' ARG . 14.3 p -118.26 158.82 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.451 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 6' ' ' VAL . 36.8 m -118.8 130.45 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -134.1 125.61 28.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.88 -31.23 0.45 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -97.28 152.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.861 0.363 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.4 m -123.77 121.55 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -111.03 171.69 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -68.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.665 ' HB2' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 60.11 -172.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.76 -166.49 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' ' HA ' ' A' ' 1' ' ' LYS . 3.3 mpt_? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.33 31.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -150.86 78.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 3' ' ' CYS . 65.3 m-85 -157.05 110.05 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -56.05 152.09 10.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.551 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.693 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 46.94 -166.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.127 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.693 ' N ' HG13 ' A' ' 6' ' ' VAL . 61.2 m -74.86 176.79 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 170.85 105.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.717 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 4.1 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.796 0.838 . . . . 0.0 113.19 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 168.92 -50.13 0.22 Allowed Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.643 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 13' ' ' TYR . 5.7 pt -155.1 -171.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.1 0.476 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.1 m -140.19 96.54 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.321 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 11' ' ' ILE . 30.9 m-85 -141.73 177.86 7.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 0.0 111.337 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.7 mmt-85 -136.23 166.42 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 0.6 OUTLIER 59.36 167.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.71 179.72 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.685 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.838 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -137.33 -89.03 0.26 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 41.5 t -114.78 -17.29 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.301 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.0 172.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.734 0.302 . . . . 0.0 110.787 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -59.09 158.97 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.9 p -168.88 154.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 6' ' ' VAL . 76.0 m -117.48 137.1 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.756 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' GLY . 17.7 m-85 -159.45 -102.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.02 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.133 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 32.89 33.06 0.01 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.626 -0.715 . . . . 0.0 114.336 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 9' ' ' ARG . 10.3 pt -155.03 172.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 117.185 0.492 . . . . 0.0 111.936 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.88 105.65 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.36 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD2' HD12 ' A' ' 11' ' ' ILE . 70.5 m-85 -150.94 -168.28 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -116.41 125.22 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.145 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -127.71 145.34 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.731 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 3.1 t -102.38 51.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 mmt-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.863 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -171.27 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.3 m 72.26 107.3 0.07 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.262 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.1 52.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -49.94 128.58 18.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.227 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 178.82 126.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 10.1 m -106.07 89.71 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' CE2' HG11 ' A' ' 6' ' ' VAL . 8.1 m-85 -80.86 86.56 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 64.28 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.443 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -115.25 -43.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.726 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -75.21 134.4 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 111.107 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' ILE . 69.7 m -127.56 138.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CE2' HD12 ' A' ' 11' ' ' ILE . 53.3 m-85 -111.73 160.52 17.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.643 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.32 160.89 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' HB2' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -111.91 177.55 4.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 111.157 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 17' ' ' ARG . 0.7 OUTLIER 176.96 -31.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 16' ' ' CYS . 1.4 mmt85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.583 0.23 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.455 ' O ' ' CD2' ' A' ' 2' ' ' TRP . 2.6 p-90 -56.96 122.92 13.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.79 0.329 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 171.27 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 78.21 98.36 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' NE ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -148.38 113.33 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.138 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 22.0 t -68.8 61.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.893 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 m -97.79 111.19 23.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' ARG . 49.5 m-85 -153.33 -154.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.993 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' TYR . 3.9 ttp180 -3.22 -81.73 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.41 57.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.719 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 8.2 tp -176.55 154.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' NE ' ' A' ' 5' ' ' ARG . 42.9 m -140.57 120.23 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.99 156.94 40.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.957 0.408 . . . . 0.0 111.184 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.79 69.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 34.8 tpt85 -57.05 112.51 1.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 0.2 OUTLIER 45.07 -165.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.573 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.005 -179.674 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.145 0.498 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.6 m95 47.59 95.17 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.406 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 64.13 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.321 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 1.8 m-85 -109.93 -26.27 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.742 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' C ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 60.85 87.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.215 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -172.99 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -88.09 116.55 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.55 67.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 54.5 -87.18 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.341 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.56 -56.02 4.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 11' ' ' ILE . 8.4 tp -89.98 110.69 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.745 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.1 t -102.67 120.78 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.6 m-85 -98.19 34.32 1.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 6.1 ttp85 -80.07 -21.21 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.7 tpt85 -90.39 161.54 15.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.95 -70.3 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.064 0.459 . . . . 0.0 111.036 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 tptt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.9 t90 66.6 -74.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 m 52.09 98.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.19 52.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.56 116.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.3 t -154.0 122.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 14.3 m -109.11 163.82 12.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -139.61 84.76 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 33.3 57.04 0.5 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.321 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.1 -54.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' HE1' ' A' ' 13' ' ' TYR . 9.2 tt -98.08 146.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.7 m -122.5 86.23 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' HE1' HD13 ' A' ' 11' ' ' ILE . 4.8 m-85 -64.69 81.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -95.25 62.44 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.975 0.416 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -159.44 -40.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.261 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -179.51 93.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.791 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.444 ' CD ' ' CD2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.819 0.342 . . . . 0.0 111.099 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -101.53 102.68 13.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 61.2 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' ' CD ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER 61.11 119.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.975 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 14' ' ' ARG . 9.7 ttm180 -58.84 104.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.564 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' CYS . 23.8 t -152.07 159.89 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 111.506 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 42.9 t -125.07 130.97 53.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -114.34 -179.18 3.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -10.9 9.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.869 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -95.85 -35.4 5.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.329 -0.939 . . . . 0.0 113.079 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 7.7 tp 172.33 161.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 111.078 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 6.2 m -99.46 105.55 17.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.045 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -132.68 174.18 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.15 0.5 . . . . 0.0 111.919 -178.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -165.13 -88.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.211 179.574 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 35.6 65.46 0.41 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.907 179.37 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 t -78.02 113.53 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.39 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.841 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.957 0.408 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 17' ' ' ARG . 8.8 m95 59.72 176.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.997 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.499 ' HB3' ' CA ' ' A' ' 16' ' ' CYS . 25.8 t -127.74 2.72 6.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.392 -179.732 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.4 OUTLIER 75.76 -158.76 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.552 0.215 . . . . 0.0 110.644 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.15 146.55 21.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.774 0.321 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.93 78.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.9 m -68.02 114.15 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -105.7 -160.42 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.906 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.0 mmt180 -21.16 -54.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 38.76 0.39 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.673 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -175.35 139.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.874 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -102.85 110.06 21.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.816 ' CD1' HD12 ' A' ' 11' ' ' ILE . 2.0 m-85 -95.92 -167.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.122 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 25.5 mmm-85 73.48 0.28 3.6 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.929 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER 53.54 -89.19 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.4 0.143 . . . . 0.0 111.016 179.818 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' CA ' ' HB3' ' A' ' 3' ' ' CYS . 2.0 m 58.12 -85.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.777 0.322 . . . . 0.0 111.251 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 1.7 tpt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.611 0.243 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 56.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HA ' ' H ' ' A' ' 16' ' ' CYS . 2.6 t -132.24 137.92 47.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 11.6 t80 -174.41 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.378 . . . . 0.0 111.787 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 21.1 mmt85 -104.9 -111.96 0.26 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.774 -178.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -147.7 -177.08 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.686 0.279 . . . . 0.0 111.157 -179.313 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.628 ' H ' HG22 ' A' ' 6' ' ' VAL . 7.5 m -126.77 147.63 49.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -153.48 -168.07 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.223 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -29.4 -88.45 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.657 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.71 39.63 2.76 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.852 -179.314 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.563 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.2 pp -155.0 80.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 0.0 111.218 179.751 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -80.32 73.77 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 179.701 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 15.5 m-30 -68.26 75.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.191 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER 67.98 -97.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 179.093 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HE ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 59.89 41.43 17.86 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-O 120.942 0.401 . . . . 0.0 110.79 -179.043 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' H ' ' HA ' ' A' ' 3' ' ' CYS . 2.7 m 43.28 43.05 3.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.512 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.787 -179.901 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.886 0.374 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -133.24 169.18 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 58.24 75.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.33 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -98.58 -101.55 0.21 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.477 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 14' ' ' ARG . 6.6 tpp180 174.82 133.7 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.867 0.365 . . . . 0.0 111.399 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -129.23 111.65 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.571 179.323 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -66.44 91.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.31 171.64 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 62.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.165 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 11' ' ' ILE . . . 166.73 -35.14 0.23 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.094 179.457 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.546 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -156.13 -162.79 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.5 0.191 . . . . 0.0 111.376 -179.35 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -142.19 94.79 2.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.562 -179.895 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' CG1' ' A' ' 11' ' ' ILE . 43.5 m-85 -151.86 146.99 26.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -95.32 -166.29 1.43 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.954 0.407 . . . . 0.0 111.08 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -141.32 24.2 2.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.82 24.41 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 17.1 m95 61.32 151.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . 1.2 m -179.43 95.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 111.573 179.264 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 75.5 t80 170.02 79.7 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' HG2' ' HB2' ' A' ' 15' ' ' ARG . 15.6 tpp85 -108.86 -109.08 0.33 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.531 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG21 ' HG3' ' A' ' 14' ' ' ARG . 21.2 t -72.72 117.68 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.514 -179.256 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -111.76 96.19 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' CE2' ' CG1' ' A' ' 6' ' ' VAL . 14.4 m-85 -120.65 156.36 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.567 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -71.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.46 34.14 0.08 OUTLIER Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.945 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -170.04 157.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.945 ' N ' HD13 ' A' ' 11' ' ' ILE . 39.2 m -102.19 118.53 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.06 0.457 . . . . 0.0 111.051 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.811 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.2 m-85 -126.26 -163.81 1.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.233 -179.35 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.1 mmt85 81.02 -91.48 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 0.9 OUTLIER -108.62 -176.67 3.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.662 0.267 . . . . 0.0 110.491 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 1.2 m -135.35 86.02 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.797 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.822 0.344 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.409 ' CH2' ' HB3' ' A' ' 16' ' ' CYS . 19.4 t-105 57.32 164.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.012 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 6.0 p -67.44 141.63 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -112.66 56.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.041 179.407 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' HA ' ' HB3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.96 91.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.663 -179.285 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' PHE . 39.5 t -156.51 117.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.63 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 74.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.698 ' HB2' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.35 173.73 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.847 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.19 65.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.98 -24.77 2.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.732 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -117.96 154.76 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.616 -179.562 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -157.23 117.33 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 179.634 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 65.6 m-85 -149.36 118.24 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.05 38.43 0.66 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.023 179.757 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.55 93.92 9.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 58.6 m -81.84 83.98 7.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.812 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -167.1 82.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 1.7 p -179.79 -178.78 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.86 143.1 2.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 118.8 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 7' ' ' CYS . 12.0 p -177.72 159.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' N ' HG22 ' A' ' 6' ' ' VAL . 34.9 m -150.62 143.4 24.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 43.0 m-85 -159.22 142.6 14.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.0 0.429 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 49.65 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.703 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.41 -34.22 0.96 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.615 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.412 HG12 ' CE1' ' A' ' 13' ' ' TYR . 4.9 tt -66.08 166.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.673 0.273 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.69 104.45 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.412 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' VAL . 16.6 m-30 -96.01 33.47 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.58 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.37 -43.94 98.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mtm-85 -74.94 -67.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.235 0.54 . . . . 0.0 110.563 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.1 OUTLIER 169.93 97.46 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.919 179.583 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.736 -179.96 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 39.9 p-90 -177.2 134.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t -176.02 -92.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 69.46 116.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 11.0 mtm180 56.91 113.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.334 179.345 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 7' ' ' CYS . 1.6 p -170.99 -179.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.426 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.694 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.2 m -76.74 169.32 18.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 0.0 111.261 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -158.46 119.44 3.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.93 -71.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.22 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.28 -33.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.901 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -81.26 140.46 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.797 -179.894 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.937 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -106.57 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 11' ' ' ILE . 40.9 m-85 -114.96 92.52 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HB2' ' HB3' ' A' ' 5' ' ' ARG . 2.4 mmt85 75.08 -142.59 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -152.45 155.65 37.92 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.33 . . . . 0.0 111.405 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -165.29 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.072 0.463 . . . . 0.0 111.08 179.445 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.705 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 3' ' ' CYS . 1.7 tmtp? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.055 0.455 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.404 ' HB3' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER 65.77 -72.34 0.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.051 179.871 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 56.73 29.45 15.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' VAL . 47.6 m-85 -57.39 -92.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.694 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 1.8 mmp_? 48.78 -156.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.077 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 5' ' ' ARG . 44.6 t 96.27 -108.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.042 0.537 . . . . 0.0 111.213 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -175.92 113.98 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 -179.74 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -116.22 161.59 18.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 65.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.12 -29.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.044 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.919 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -159.92 136.77 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.919 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.5 m -114.25 138.92 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD2' HD12 ' A' ' 11' ' ' ILE . 2.1 m-85 -130.8 163.22 27.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -49.07 -91.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.652 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 -37.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 111.547 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.66 114.77 1.17 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.995 0.426 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.44 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 2.1 t90 66.21 14.01 9.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 63.9 86.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.3 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -171.48 175.07 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -72.78 87.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.81 135.02 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -130.54 129.75 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -168.03 166.01 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 67.83 -68.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.13 39.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.909 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -165.11 139.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.817 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.909 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.2 m -103.04 116.81 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 11' ' ' ILE . 43.9 m-85 -112.19 129.16 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.679 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -29.25 25.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.99 -164.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 179.616 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -104.58 -160.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 5.0 mtm-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 7' ' ' CYS . 11.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.885 0.374 . . . . 4.74 111.226 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 6' ' ' VAL . 6.7 m -108.64 155.56 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 3.26 110.809 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.98 112.91 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 7.36 110.954 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.0 -79.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 6.82 110.987 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.15 27.09 2.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.659 -0.781 . . . . 3.71 112.549 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.772 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -135.69 124.15 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 4.47 111.036 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.688 ' N ' HD13 ' A' ' 11' ' ' ILE . 22.1 m -102.69 114.88 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 3.36 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.772 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 7.11 110.95 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.836 0.351 . . . . 0.0 111.04 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.587 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.3 m -101.29 152.72 20.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -167.89 162.89 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.07 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -165.85 31.15 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.415 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 10' ' ' GLY . 1.9 pp -161.1 174.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 m -117.6 102.84 9.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 11' ' ' ILE . 22.6 m-85 . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 7' ' ' CYS . 6.6 t . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 120.878 0.37 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 5.2 t -90.38 110.27 21.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 21.6 m-85 -91.55 101.89 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.04 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.909 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.91 -37.74 0.6 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.588 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 2.2 pp -90.65 152.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.022 0.411 . . . . 0.0 111.674 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -139.52 110.87 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.068 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 -179.308 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.719 HG22 ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.574 0.213 . . . . 0.0 111.574 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.719 ' N ' HG22 ' A' ' 6' ' ' VAL . 48.6 t -171.34 116.27 0.42 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.876 0.369 . . . . 0.0 111.047 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' GLY . 20.5 m-85 -137.12 155.82 49.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 66.27 -64.76 0.21 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -165.27 -27.23 0.02 OUTLIER Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.187 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 144.82 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.842 0.321 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 45.8 m -119.69 103.16 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' VAL . 6.9 m-85 . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.657 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.7 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.826 0.346 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.3 m -90.24 97.26 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 124.12 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 68.78 -67.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.91 36.28 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -163.42 132.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 5.5 m -86.86 109.92 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 37.6 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.469 0.488 0 CA-C-O 120.861 0.362 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 48.2 m -116.04 105.15 12.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 21.4 m-85 -162.06 164.8 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.297 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 -146.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.295 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.49 20.96 34.84 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.099 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 8.2 tp -147.3 137.04 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 t -137.98 129.02 27.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 111.09 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 53.6 m-85 . . . . . 0 C--O 1.235 0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.849 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 8' ' ' TYR . 14.2 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.625 0.25 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.7 m -101.09 107.39 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.532 ' CD2' HG22 ' A' ' 6' ' ' VAL . 31.7 m-85 -160.96 167.77 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.704 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.58 10.83 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.878 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.83 -22.4 35.54 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.252 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -106.0 177.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 111.04 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.511 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.3 m -127.43 76.75 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.687 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HD1' ' CG1' ' A' ' 11' ' ' ILE . 2.1 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.547 0.213 . . . . 0.0 110.703 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 t -107.13 156.04 19.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.341 . . . . 0.0 111.194 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -133.13 124.33 27.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.255 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 53.85 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.324 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -120.81 -38.55 0.65 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 12' ' ' CYS . 8.8 tp -92.67 159.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.6 m -109.79 121.85 46.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.957 0.408 . . . . 0.0 110.669 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.255 0 CA-C-O 120.718 0.294 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.781 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 3.6 p -173.16 -173.55 0.94 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 7' ' ' CYS . 13.4 m-85 -166.3 -172.91 2.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.762 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -61.85 83.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.283 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . 171.31 -31.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.129 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.7 tp 166.86 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.781 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 79.3 m -127.03 135.75 51.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.14 0.495 . . . . 0.0 111.955 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--O 1.235 0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.921 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.686 0.279 . . . . 0.0 110.254 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -89.41 124.19 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -128.43 156.34 43.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -18.08 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.46 -23.29 9.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.683 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' CZ ' ' A' ' 13' ' ' TYR . 3.3 tp -173.34 121.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 27.3 t -95.2 92.69 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 75.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.613 0.244 . . . . 0.0 110.851 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.634 ' N ' HG13 ' A' ' 6' ' ' VAL . 16.9 m -92.91 116.72 29.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLY . 2.5 m-85 -120.74 177.26 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 33.48 -89.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.155 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -145.31 17.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.537 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.75 151.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -103.65 118.18 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.053 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.1 t -119.75 155.11 33.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.5 m-85 -132.22 60.02 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 54.73 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.006 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -55.66 -25.28 42.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.9 -0.666 . . . . 0.0 113.35 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.433 HD12 ' H ' ' A' ' 12' ' ' CYS . 6.0 tp -150.93 139.84 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 111.74 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' H ' HD12 ' A' ' 11' ' ' ILE . 77.9 m -118.82 155.05 31.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.792 0.33 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 t -90.04 111.63 22.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.3 150.63 20.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -45.85 -34.16 3.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.536 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.36 -49.4 7.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -151.68 174.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -96.05 86.48 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.79 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 11' ' ' ILE . 7.8 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 13' ' ' TYR . 12.3 p . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.32 106.84 17.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.22 168.93 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 64.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 -26.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.673 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -169.64 154.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.641 0.257 . . . . 0.0 110.94 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -99.1 105.45 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.958 0.409 . . . . 0.0 111.058 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HB2' HG13 ' A' ' 6' ' ' VAL . 4.3 m-30 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 7' ' ' CYS . 14.3 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.89 0.376 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 6' ' ' VAL . 36.8 m -118.8 130.45 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -134.1 125.61 28.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.88 -31.23 0.45 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -97.28 152.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.861 0.363 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.4 m -123.77 121.55 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.693 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 120.613 0.244 . . . . 0.0 111.127 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.693 ' N ' HG13 ' A' ' 6' ' ' VAL . 61.2 m -74.86 176.79 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 170.85 105.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.717 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 4.1 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.796 0.838 . . . . 0.0 113.19 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 168.92 -50.13 0.22 Allowed Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.643 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 13' ' ' TYR . 5.7 pt -155.1 -171.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.1 0.476 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.1 m -140.19 96.54 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.321 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 11' ' ' ILE . 30.9 m-85 . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 0.0 111.337 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.9 p . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 121.006 0.431 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 6' ' ' VAL . 76.0 m -117.48 137.1 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.756 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' GLY . 17.7 m-85 -159.45 -102.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.02 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.133 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 32.89 33.06 0.01 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.626 -0.715 . . . . 0.0 114.336 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 9' ' ' ARG . 10.3 pt -155.03 172.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 117.185 0.492 . . . . 0.0 111.936 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.88 105.65 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.36 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD2' HD12 ' A' ' 11' ' ' ILE . 70.5 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.49 HG11 ' CE2' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 10.1 m -106.07 89.71 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' CE2' HG11 ' A' ' 6' ' ' VAL . 8.1 m-85 -80.86 86.56 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 64.28 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.443 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -115.25 -43.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.726 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -75.21 134.4 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 111.107 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' ILE . 69.7 m -127.56 138.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CE2' HD12 ' A' ' 11' ' ' ILE . 53.3 m-85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.643 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 22.0 t . . . . . 0 C--O 1.232 0.149 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 m -97.79 111.19 23.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' ARG . 49.5 m-85 -153.33 -154.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.993 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' TYR . 3.9 ttp180 -3.22 -81.73 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.41 57.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.719 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 8.2 tp -176.55 154.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 42.9 m -140.57 120.23 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.957 0.408 . . . . 0.0 111.184 -179.729 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.112 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -88.09 116.55 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.55 67.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 54.5 -87.18 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.341 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.56 -56.02 4.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 11' ' ' ILE . 8.4 tp -89.98 110.69 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.745 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.1 t -102.67 120.78 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.6 m-85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.809 0.338 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 14.3 m -109.11 163.82 12.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -139.61 84.76 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 33.3 57.04 0.5 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.321 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.1 -54.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' HE1' ' A' ' 13' ' ' TYR . 9.2 tt -98.08 146.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.7 m -122.5 86.23 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.467 ' HE1' HD13 ' A' ' 11' ' ' ILE . 4.8 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' CYS . 23.8 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.033 0.444 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 42.9 t -125.07 130.97 53.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -114.34 -179.18 3.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -10.9 9.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.869 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -95.85 -35.4 5.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.329 -0.939 . . . . 0.0 113.079 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 7.7 tp 172.33 161.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 111.078 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 6.2 m -99.46 105.55 17.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.045 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.15 0.5 . . . . 0.0 111.919 -178.947 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.979 0.419 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.9 m -68.02 114.15 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -105.7 -160.42 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.906 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.0 mmt180 -21.16 -54.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 38.76 0.39 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.673 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -175.35 139.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.874 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -102.85 110.06 21.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.816 ' CD1' HD12 ' A' ' 11' ' ' ILE . 2.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.122 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.259 0 CA-C-O 120.686 0.279 . . . . 0.0 111.157 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.628 ' H ' HG22 ' A' ' 6' ' ' VAL . 7.5 m -126.77 147.63 49.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -153.48 -168.07 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.223 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -29.4 -88.45 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.657 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.71 39.63 2.76 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.852 -179.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 11' ' ' ILE . 1.2 pp -155.0 80.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 0.0 111.218 179.751 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -80.32 73.77 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 179.701 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.473 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 15.5 m-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.191 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.571 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -66.44 91.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.31 171.64 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 62.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.165 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 11' ' ' ILE . . . 166.73 -35.14 0.23 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.094 179.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -156.13 -162.79 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.5 0.191 . . . . 0.0 111.376 -179.35 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -142.19 94.79 2.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.562 -179.895 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' CG1' ' A' ' 11' ' ' ILE . 43.5 m-85 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.696 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.448 ' CG1' ' CE2' ' A' ' 8' ' ' TYR . 21.2 t . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.514 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -111.76 96.19 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.448 ' CE2' ' CG1' ' A' ' 6' ' ' VAL . 14.4 m-85 -120.65 156.36 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.567 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -71.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.46 34.14 0.08 OUTLIER Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.945 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -170.04 157.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.945 ' N ' HD13 ' A' ' 11' ' ' ILE . 39.2 m -102.19 118.53 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.06 0.457 . . . . 0.0 111.051 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.811 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.2 m-85 . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.233 -179.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.759 0.314 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 74.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.698 ' HB2' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.35 173.73 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.847 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.19 65.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.98 -24.77 2.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.732 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -117.96 154.76 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.616 -179.562 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -157.23 117.33 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 179.634 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 65.6 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 7' ' ' CYS . 12.0 p . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.797 0.332 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' N ' HG22 ' A' ' 6' ' ' VAL . 34.9 m -150.62 143.4 24.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 43.0 m-85 -159.22 142.6 14.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.0 0.429 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 49.65 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.703 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.41 -34.22 0.96 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.615 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.412 HG12 ' CE1' ' A' ' 13' ' ' TYR . 4.9 tt -66.08 166.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.673 0.273 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.69 104.45 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.412 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' VAL . 16.6 m-30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.58 179.433 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 7' ' ' CYS . 1.6 p . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.773 0.321 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.694 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.2 m -76.74 169.32 18.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 0.0 111.261 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -158.46 119.44 3.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.93 -71.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.22 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.28 -33.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.901 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -81.26 140.46 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.797 -179.894 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.937 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -106.57 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 11' ' ' ILE . 40.9 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.51 HG12 ' N ' ' A' ' 7' ' ' CYS . 44.6 t . . . . . 0 N--CA 1.467 0.407 0 N-CA-C 111.213 0.079 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -175.92 113.98 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 -179.74 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -116.22 161.59 18.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 65.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.12 -29.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.044 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.919 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -159.92 136.77 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.919 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.5 m -114.25 138.92 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD2' HD12 ' A' ' 11' ' ' ILE . 2.1 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.892 0.377 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -130.54 129.75 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -168.03 166.01 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 67.83 -68.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.13 39.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.909 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -165.11 139.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.817 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.909 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.2 m -103.04 116.81 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 11' ' ' ILE . 43.9 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.679 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.82 0.343 . . . . 6.75 111.188 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' CE3' ' NH1' ' A' ' 17' ' ' ARG . 31.0 m95 -126.93 -81.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 6.19 110.98 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.0 m -59.54 127.52 32.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.876 -0.602 . . . . 3.31 110.825 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -148.03 79.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 6.54 111.014 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.0 ttm-85 -78.66 91.78 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 6.67 110.731 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 7' ' ' CYS . 11.9 p -145.47 158.27 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 4.74 111.226 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' ' 6' ' ' VAL . 6.7 m -108.64 155.56 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 3.26 110.809 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -133.98 112.91 11.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 7.36 110.954 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.0 -79.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 6.82 110.987 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.15 27.09 2.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.659 -0.781 . . . . 3.71 112.549 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.772 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -135.69 124.15 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 4.47 111.036 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.688 ' N ' HD13 ' A' ' 11' ' ' ILE . 22.1 m -102.69 114.88 29.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 3.36 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.772 ' CD2' HD12 ' A' ' 11' ' ' ILE . 5.4 m-85 -98.84 101.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 7.11 110.95 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -87.35 -19.9 27.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.028 -0.533 . . . . 6.54 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.54 142.84 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.373 -0.376 . . . . 6.84 110.99 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.35 -20.45 57.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 3.73 111.155 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' NH1' ' CE3' ' A' ' 2' ' ' TRP . 16.9 mmm180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.201 -0.904 . . . . 8.46 110.894 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.787 0.327 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -21.08 13.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -90.52 161.59 15.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.586 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.42 28.16 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.183 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 63.08 131.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.867 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER 178.43 177.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.04 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.587 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.3 m -101.29 152.72 20.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.824 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -167.89 162.89 13.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.042 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.07 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.038 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.612 ' O ' HG23 ' A' ' 11' ' ' ILE . . . -165.85 31.15 0.21 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.415 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.612 HG23 ' O ' ' A' ' 10' ' ' GLY . 1.9 pp -161.1 174.2 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.812 0.339 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 27.0 m -117.6 102.84 9.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.96 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 11' ' ' ILE . 22.6 m-85 -136.79 -103.07 0.2 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.058 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -131.34 -81.17 0.52 Allowed 'General case' 0 C--O 1.232 0.136 0 O-C-N 122.225 -0.297 . . . . 0.0 111.355 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 59.36 162.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.594 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.1 m -136.28 68.35 1.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.408 -0.806 . . . . 0.0 110.791 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.747 ' HA ' HG21 ' A' ' 11' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.812 0.339 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 13' ' ' TYR . 72.5 t90 61.45 86.07 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . 0.6 OUTLIER -130.02 -174.49 3.33 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.248 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -49.72 -179.65 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.208 0.527 . . . . 0.0 112.261 -178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.647 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -61.12 145.62 50.35 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.741 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.561 HG23 ' C ' ' A' ' 5' ' ' ARG . 6.6 t 86.46 163.37 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.262 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 5.2 t -90.38 110.27 21.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 21.6 m-85 -91.55 101.89 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.04 -71.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.909 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.91 -37.74 0.6 Allowed Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.588 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.747 HG21 ' HA ' ' A' ' 1' ' ' LYS . 2.2 pp -90.65 152.76 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 117.022 0.411 . . . . 0.0 111.674 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER -139.52 110.87 7.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.068 179.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.647 ' O ' ' HA ' ' A' ' 5' ' ' ARG . 94.0 m-85 -154.42 -157.8 0.8 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.891 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.528 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 48.9 tpt85 -132.58 -7.35 3.25 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HB2' ' NE1' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -136.84 143.89 43.34 Favored 'General case' 0 C--N 1.332 -0.182 0 O-C-N 122.074 -0.391 . . . . 0.0 111.633 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -128.91 176.5 7.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.913 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.4 tptt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 121.243 0.544 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -167.16 -154.24 0.16 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.721 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 t 76.7 129.82 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.774 0.321 . . . . 0.0 110.613 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 61.03 69.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.547 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 7' ' ' CYS . 2.7 ptp180 -64.76 -18.17 64.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.645 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.719 HG22 ' N ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER 46.13 -86.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.574 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.719 ' N ' HG22 ' A' ' 6' ' ' VAL . 48.6 t -171.34 116.27 0.42 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.876 0.369 . . . . 0.0 111.047 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 10' ' ' GLY . 20.5 m-85 -137.12 155.82 49.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? 66.27 -64.76 0.21 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -165.27 -27.23 0.02 OUTLIER Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.187 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.15 144.82 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.842 0.321 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 7' ' ' CYS . 45.8 m -119.69 103.16 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HB2' ' HD3' ' A' ' 5' ' ' ARG . 6.9 m-85 -138.41 165.33 27.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.657 179.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -140.79 92.01 2.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.2 mmt85 -146.75 131.12 17.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 t -97.38 80.27 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.831 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.752 0.31 . . . . 0.0 111.197 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CH2' ' HB2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -108.26 127.78 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.305 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.529 ' N ' ' HB2' ' A' ' 16' ' ' CYS . 0.9 OUTLIER 174.0 67.7 0.0 OUTLIER 'General case' 0 C--O 1.232 0.166 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -149.54 75.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.922 0.391 . . . . 0.0 110.971 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.21 89.83 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.704 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.7 p -171.29 158.5 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.274 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.3 m -90.24 97.26 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 124.12 34.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 68.78 -67.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.032 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -167.91 36.28 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.551 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -163.42 132.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.013 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 5.5 m -86.86 109.92 19.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.038 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.441 ' CE2' ' CG2' ' A' ' 11' ' ' ILE . 37.6 m-85 -93.27 163.21 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -142.76 69.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.509 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.468 ' HB2' ' CH2' ' A' ' 2' ' ' TRP . 0.4 OUTLIER 178.62 130.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' HB2' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -73.01 -162.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.903 179.152 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.55 -162.51 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -57.53 -164.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.835 0.35 . . . . 0.0 111.084 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -136.2 33.32 2.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.587 ' HB2' ' HA ' ' A' ' 14' ' ' ARG . 0.4 OUTLIER -73.53 -72.93 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.034 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' ARG . 38.3 t 98.84 132.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.75 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 48.2 m -116.04 105.15 12.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.097 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 21.4 m-85 -162.06 164.8 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.297 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.99 -146.1 0.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.295 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.49 20.96 34.84 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.635 -0.793 . . . . 0.0 113.099 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 8.2 tp -147.3 137.04 16.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.739 0.304 . . . . 0.0 111.043 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.1 t -137.98 129.02 27.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.967 0.413 . . . . 0.0 111.09 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.595 ' CZ ' HD11 ' A' ' 11' ' ' ILE . 53.6 m-85 -147.56 154.63 40.95 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.849 179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.587 ' HA ' ' HB2' ' A' ' 5' ' ' ARG . 1.8 tpt180 -174.56 87.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.464 ' HD3' ' HG3' ' A' ' 5' ' ' ARG . 0.5 OUTLIER -83.2 -142.37 0.06 Allowed 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.118 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.3 m 46.06 34.45 2.05 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.983 0.421 . . . . 0.0 111.53 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.25 0.548 . . . . 0.0 111.347 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -178.43 -152.26 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.455 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 71.93 130.27 0.04 OUTLIER 'General case' 0 C--O 1.231 0.106 0 CA-C-O 120.764 0.316 . . . . 0.0 110.734 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 2.3 p90 -148.74 81.18 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.66 113.3 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.121 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.532 HG22 ' CD2' ' A' ' 8' ' ' TYR . 14.2 p -179.28 146.98 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.921 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 90.7 m -101.09 107.39 18.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.532 ' CD2' HG22 ' A' ' 6' ' ' VAL . 31.7 m-85 -160.96 167.77 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.704 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 64.58 10.83 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.878 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.83 -22.4 35.54 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.252 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -106.0 177.31 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 111.04 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.511 ' N ' HG12 ' A' ' 11' ' ' ILE . 1.3 m -127.43 76.75 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.687 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.514 ' HD1' ' CG1' ' A' ' 11' ' ' ILE . 2.1 m-85 -50.69 131.37 25.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -132.87 -174.31 3.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.94 158.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -139.8 173.33 11.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.918 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.5 mtmm . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.921 0.391 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -101.76 32.44 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.21 41.08 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -159.24 147.52 17.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 61.76 79.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.151 0.5 . . . . 0.0 110.824 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.717 HG11 ' HA ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -155.57 -166.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.703 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 t -107.13 156.04 19.23 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.341 . . . . 0.0 111.194 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' GLY . 0.1 OUTLIER -133.13 124.33 27.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.255 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 53.85 -86.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.324 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -120.81 -38.55 0.65 Allowed Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 12' ' ' CYS . 8.8 tp -92.67 159.96 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.699 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 62.6 m -109.79 121.85 46.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.957 0.408 . . . . 0.0 110.669 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -132.45 157.57 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 83.61 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.838 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.8 -167.87 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.06 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 m -72.37 176.1 5.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.021 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.717 ' HA ' HG11 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.785 0.326 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.8 OUTLIER 63.06 130.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' HB2' ' N ' ' A' ' 16' ' ' CYS . 0.1 OUTLIER -107.63 -163.21 0.88 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.478 179.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.39 80.26 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.032 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -47.23 93.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.498 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 170.31 152.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.313 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.781 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 3.6 p -173.16 -173.55 0.94 Allowed 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 7' ' ' CYS . 13.4 m-85 -166.3 -172.91 2.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.762 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.7 tmm_? -61.85 83.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.283 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . 171.31 -31.52 0.13 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.129 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.567 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 6.7 tp 166.86 154.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.781 ' HA ' ' HB2' ' A' ' 7' ' ' CYS . 79.3 m -127.03 135.75 51.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.14 0.495 . . . . 0.0 111.955 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -110.83 129.34 55.88 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.55 134.33 3.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.434 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 57.31 83.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.883 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 3' ' ' CYS . 1.2 p 171.56 173.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.84 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.958 0.409 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.449 ' CE3' ' CZ ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -82.0 110.87 17.65 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.936 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.49 83.47 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -154.21 -75.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.176 0.512 . . . . 0.0 110.645 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.787 ' O ' HG23 ' A' ' 6' ' ' VAL . 8.7 mmp_? 63.8 -174.88 0.16 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.415 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 179.31 157.8 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.254 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -89.41 124.19 34.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.098 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -128.43 156.34 43.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -18.08 64.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.46 -23.29 9.62 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.523 -0.846 . . . . 0.0 112.683 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 ' CZ ' ' A' ' 13' ' ' TYR . 3.3 tp -173.34 121.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.737 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 27.3 t -95.2 92.69 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CZ ' HG12 ' A' ' 11' ' ' ILE . 75.4 m-85 -77.41 139.54 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.758 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' O ' ' C ' ' A' ' 15' ' ' ARG . 9.4 tmm_? -108.22 117.75 34.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.53 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -7.8 123.01 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.718 0.807 . . . . 0.0 113.01 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.3 105.44 0.05 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.857 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.174 -0.917 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.804 0.335 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -50.85 6.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.154 0.502 . . . . 0.0 110.961 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 78.5 m -150.67 -78.85 0.13 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -175.96 114.95 0.13 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.449 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -92.87 71.82 4.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.517 179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.5 OUTLIER 177.92 -167.71 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.634 ' N ' HG13 ' A' ' 6' ' ' VAL . 16.9 m -92.91 116.72 29.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.905 0.383 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLY . 2.5 m-85 -120.74 177.26 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 33.48 -89.33 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.155 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -145.31 17.56 1.89 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.537 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -150.75 151.8 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -103.65 118.18 36.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 0.0 110.981 -179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CD1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -120.07 150.52 40.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.053 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -154.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 9.1 ttm180 -46.35 -29.04 1.51 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.0 0.429 . . . . 0.0 111.213 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -179.21 -80.17 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.788 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.803 0.335 . . . . 0.0 111.486 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -59.07 -77.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.112 0.482 . . . . 0.0 110.93 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.18 29.2 3.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.019 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.525 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -112.04 -25.08 9.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.188 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' C ' HG23 ' A' ' 6' ' ' VAL . 0.4 OUTLIER 57.06 -143.01 0.72 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.764 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 4' ' ' PHE . 6.4 t 77.96 151.58 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-O 120.738 0.304 . . . . 0.0 111.03 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.1 t -119.75 155.11 33.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.5 m-85 -132.22 60.02 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.641 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 54.73 -80.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.006 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -55.66 -25.28 42.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.9 -0.666 . . . . 0.0 113.35 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.433 HD12 ' H ' ' A' ' 12' ' ' CYS . 6.0 tp -150.93 139.84 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 111.74 -179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' H ' HD12 ' A' ' 11' ' ' ILE . 77.9 m -118.82 155.05 31.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -146.95 133.39 19.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -150.01 58.45 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.43 161.2 21.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.16 115.14 23.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.997 179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.877 0.37 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.6 t90 60.8 83.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -93.68 -27.16 16.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.137 -179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.447 ' CG ' ' C ' ' A' ' 3' ' ' CYS . 4.6 p90 44.95 -172.32 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.572 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -175.18 89.25 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 p -179.3 138.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.4 t -90.04 111.63 22.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.3 150.63 20.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -45.85 -34.16 3.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.536 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.36 -49.4 7.4 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.438 HG12 ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -151.68 174.61 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 110.389 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -96.05 86.48 4.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.888 0.375 . . . . 0.0 110.79 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 11' ' ' ILE . 7.8 m-85 -68.01 106.63 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' CD ' ' N ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -175.15 146.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.815 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 67.29 38.67 3.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.144 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 55.7 m 62.5 135.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 17' ' ' ARG . 8.6 mmm180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 61.71 57.33 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -167.54 60.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -138.38 61.47 1.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.72 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.8 129.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.546 HG13 ' HB2' ' A' ' 13' ' ' TYR . 12.3 p -89.81 130.15 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.563 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -107.32 106.84 17.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -88.22 168.93 12.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.1 64.18 0.53 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.114 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.47 -26.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.673 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.749 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -169.64 154.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.641 0.257 . . . . 0.0 110.94 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.749 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -99.1 105.45 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.958 0.409 . . . . 0.0 111.058 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.546 ' HB2' HG13 ' A' ' 6' ' ' VAL . 4.3 m-30 -72.78 155.99 39.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.091 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -85.43 -158.48 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 79.31 -85.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.306 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.33 -166.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 mmm-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.948 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.473 ' H2 ' ' HE3' ' A' ' 2' ' ' TRP . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.473 ' HE3' ' H2 ' ' A' ' 1' ' ' LYS . 2.1 p90 -179.2 130.02 0.11 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.789 0.328 . . . . 0.0 110.817 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -100.23 80.73 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -142.79 -68.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.195 0.522 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.44 131.33 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.592 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.665 HG12 ' HB2' ' A' ' 15' ' ' ARG . 14.3 p -118.26 158.82 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.451 -179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 6' ' ' VAL . 36.8 m -118.8 130.45 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -134.1 125.61 28.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 -83.65 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.061 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -132.88 -31.23 0.45 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 tp -97.28 152.43 4.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.861 0.363 . . . . 0.0 111.08 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.4 m -123.77 121.55 35.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -111.03 171.69 7.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -68.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.665 ' HB2' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 60.11 -172.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.76 -166.49 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.717 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HG3' ' HA ' ' A' ' 1' ' ' LYS . 3.3 mpt_? . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.265 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.876 0.37 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -158.33 31.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.412 ' O ' ' CG ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -150.86 78.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 3' ' ' CYS . 65.3 m-85 -157.05 110.05 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.134 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.421 ' O ' HG12 ' A' ' 6' ' ' VAL . 0.5 OUTLIER -56.05 152.09 10.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.551 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.693 HG13 ' N ' ' A' ' 7' ' ' CYS . 0.3 OUTLIER 46.94 -166.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.127 -179.868 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.693 ' N ' HG13 ' A' ' 6' ' ' VAL . 61.2 m -74.86 176.79 6.77 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER 170.85 105.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.717 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER 4.1 67.15 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.796 0.838 . . . . 0.0 113.19 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 168.92 -50.13 0.22 Allowed Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.643 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 13' ' ' TYR . 5.7 pt -155.1 -171.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.1 0.476 . . . . 0.0 111.729 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 11.1 m -140.19 96.54 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.321 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 11' ' ' ILE . 30.9 m-85 -141.73 177.86 7.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.935 0.398 . . . . 0.0 111.337 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.7 mmt-85 -136.23 166.42 23.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 0.6 OUTLIER 59.36 167.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.71 179.72 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.685 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.838 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 121.138 0.494 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 11.9 t-105 -137.33 -89.03 0.26 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 41.5 t -114.78 -17.29 11.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.301 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -59.0 172.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.734 0.302 . . . . 0.0 110.787 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -59.09 158.97 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 7' ' ' CYS . 10.9 p -168.88 154.75 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 6' ' ' VAL . 76.0 m -117.48 137.1 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.756 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.575 ' O ' ' N ' ' A' ' 10' ' ' GLY . 17.7 m-85 -159.45 -102.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.276 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.676 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -40.02 82.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.133 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 32.89 33.06 0.01 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 115.626 -0.715 . . . . 0.0 114.336 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.676 HG23 ' O ' ' A' ' 9' ' ' ARG . 10.3 pt -155.03 172.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 117.185 0.492 . . . . 0.0 111.936 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m -131.88 105.65 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.36 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.427 ' HD2' HD12 ' A' ' 11' ' ' ILE . 70.5 m-85 -150.94 -168.28 3.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.882 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.512 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -116.41 125.22 51.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.145 -179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.7 mtp-105 -127.71 145.34 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.731 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 3.1 t -102.38 51.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 111.074 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.3 mmt-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.863 179.849 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -171.27 3.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 32.3 m 72.26 107.3 0.07 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.262 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 176.1 52.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.757 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -49.94 128.58 18.91 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.227 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 5' ' ' ARG . 0.9 OUTLIER 178.82 126.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 10.1 m -106.07 89.71 3.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' CE2' HG11 ' A' ' 6' ' ' VAL . 8.1 m-85 -80.86 86.56 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.5 OUTLIER 64.28 -72.65 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.443 179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . -115.25 -43.06 0.73 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.726 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -75.21 134.4 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.76 0.314 . . . . 0.0 111.107 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.837 ' N ' HD13 ' A' ' 11' ' ' ILE . 69.7 m -127.56 138.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.134 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CE2' HD12 ' A' ' 11' ' ' ILE . 53.3 m-85 -111.73 160.52 17.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.643 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.32 160.89 15.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' HB2' ' CG ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -111.91 177.55 4.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.009 0.433 . . . . 0.0 111.157 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 17' ' ' ARG . 0.7 OUTLIER 176.96 -31.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 16' ' ' CYS . 1.4 mmt85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.272 -0.871 . . . . 0.0 112.286 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.583 0.23 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.455 ' CD2' ' O ' ' A' ' 2' ' ' TRP . 2.6 p-90 -56.96 122.92 13.43 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.79 0.329 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER 171.27 -32.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.788 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 78.21 98.36 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' NE ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -148.38 113.33 5.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.138 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 22.0 t -68.8 61.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.893 -179.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 6.1 m -97.79 111.19 23.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.465 179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 9' ' ' ARG . 49.5 m-85 -153.33 -154.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.993 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' C ' ' O ' ' A' ' 8' ' ' TYR . 3.9 ttp180 -3.22 -81.73 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.41 57.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.719 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.4 ' HA ' HD12 ' A' ' 11' ' ' ILE . 8.2 tp -176.55 154.62 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 111.194 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HB3' ' NE ' ' A' ' 5' ' ' ARG . 42.9 m -140.57 120.23 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -126.99 156.94 40.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.957 0.408 . . . . 0.0 111.184 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.79 69.07 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 5' ' ' ARG . 34.8 tpt85 -57.05 112.51 1.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.123 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 0.2 OUTLIER 45.07 -165.18 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.573 179.775 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.271 -0.871 . . . . 0.0 112.005 -179.674 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 121.145 0.498 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.6 m95 47.59 95.17 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.406 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 64.13 122.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.321 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 1.8 m-85 -109.93 -26.27 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.742 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' C ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 60.85 87.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.215 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -172.99 105.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -88.09 116.55 26.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -110.55 67.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 54.5 -87.18 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.341 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.56 -56.02 4.04 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' O ' ' A' ' 11' ' ' ILE . 8.4 tp -89.98 110.69 22.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.745 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 7.1 t -102.67 120.78 41.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB2' HG23 ' A' ' 6' ' ' VAL . 2.6 m-85 -98.19 34.32 1.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 5' ' ' ARG . 6.1 ttp85 -80.07 -21.21 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.7 tpt85 -90.39 161.54 15.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.808 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -91.95 -70.3 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.064 0.459 . . . . 0.0 111.036 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.171 -0.919 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 tptt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.845 0.355 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.9 t90 66.6 -74.01 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 m 52.09 98.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -164.19 52.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.56 116.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 32.3 t -154.0 122.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.0 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 14.3 m -109.11 163.82 12.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -139.61 84.76 2.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 33.3 57.04 0.5 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.321 179.48 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.1 -54.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.669 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.467 HD13 ' HE1' ' A' ' 13' ' ' TYR . 9.2 tt -98.08 146.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 111.112 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 1.7 m -122.5 86.23 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.467 ' HE1' HD13 ' A' ' 11' ' ' ILE . 4.8 m-85 -64.69 81.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -95.25 62.44 2.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.975 0.416 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' CYS . 0.0 OUTLIER -159.44 -40.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.261 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' N ' ' HG2' ' A' ' 15' ' ' ARG . 0.8 OUTLIER -179.51 93.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.791 -179.935 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.444 ' CD ' ' CD2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.819 0.342 . . . . 0.0 111.099 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -101.53 102.68 13.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 61.2 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.103 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.444 ' CD2' ' CD ' ' A' ' 1' ' ' LYS . 0.2 OUTLIER 61.11 119.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.975 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 14' ' ' ARG . 9.7 ttm180 -58.84 104.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.564 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 7' ' ' CYS . 23.8 t -152.07 159.89 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 111.506 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' N ' HG12 ' A' ' 6' ' ' VAL . 42.9 t -125.07 130.97 53.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -114.34 -179.18 3.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -10.9 9.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.869 -179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.494 ' O ' ' HB ' ' A' ' 11' ' ' ILE . . . -95.85 -35.4 5.61 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.329 -0.939 . . . . 0.0 113.079 -179.66 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 7.7 tp 172.33 161.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 CA-C-O 120.707 0.289 . . . . 0.0 111.078 -179.517 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 6.2 m -99.46 105.55 17.49 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.045 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -132.68 174.18 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.15 0.5 . . . . 0.0 111.919 -178.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -165.13 -88.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.211 179.574 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 35.6 65.46 0.41 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.886 0.374 . . . . 0.0 111.907 179.37 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.3 t -78.02 113.53 16.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.39 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.841 179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.957 0.408 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 17' ' ' ARG . 8.8 m95 59.72 176.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.997 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.499 ' HB3' ' CA ' ' A' ' 16' ' ' CYS . 25.8 t -127.74 2.72 6.07 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.392 -179.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' O ' ' CB ' ' A' ' 16' ' ' CYS . 0.4 OUTLIER 75.76 -158.76 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.552 0.215 . . . . 0.0 110.644 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.15 146.55 21.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.774 0.321 . . . . 0.0 110.919 -179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.93 78.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 77.9 m -68.02 114.15 6.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -105.7 -160.42 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.906 -179.892 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 8' ' ' TYR . 9.0 mmt180 -21.16 -54.62 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -161.7 38.76 0.39 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.673 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.874 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -175.35 139.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.025 179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.874 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -102.85 110.06 21.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.816 ' CD1' HD12 ' A' ' 11' ' ' ILE . 2.0 m-85 -95.92 -167.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.122 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 25.5 mmm-85 73.48 0.28 3.6 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.929 -179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' ARG . 0.2 OUTLIER 53.54 -89.19 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.4 0.143 . . . . 0.0 111.016 179.818 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.499 ' CA ' ' HB3' ' A' ' 3' ' ' CYS . 2.0 m 58.12 -85.72 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.777 0.322 . . . . 0.0 111.251 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 1.7 tpt180 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.611 0.243 . . . . 0.0 111.613 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -99.61 56.58 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.015 0.436 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HA ' ' H ' ' A' ' 16' ' ' CYS . 2.6 t -132.24 137.92 47.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 5' ' ' ARG . 11.6 t80 -174.41 -71.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.378 . . . . 0.0 111.787 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' HG2' ' CD2' ' A' ' 4' ' ' PHE . 21.1 mmt85 -104.9 -111.96 0.26 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.774 -178.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.628 HG22 ' H ' ' A' ' 7' ' ' CYS . 0.8 OUTLIER -147.7 -177.08 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.686 0.279 . . . . 0.0 111.157 -179.313 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.628 ' H ' HG22 ' A' ' 6' ' ' VAL . 7.5 m -126.77 147.63 49.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -153.48 -168.07 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.223 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 18.0 tpp85 -29.4 -88.45 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.657 -179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.71 39.63 2.76 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.852 -179.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 11' ' ' ILE . 1.2 pp -155.0 80.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.949 0.404 . . . . 0.0 111.218 179.751 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER -80.32 73.77 7.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.599 179.701 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 15.5 m-30 -68.26 75.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.191 -179.762 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.417 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER 67.98 -97.64 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.495 179.093 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.536 ' HE ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER 59.89 41.43 17.86 Favored 'General case' 0 C--O 1.23 0.03 0 CA-C-O 120.942 0.401 . . . . 0.0 110.79 -179.043 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' H ' ' HA ' ' A' ' 3' ' ' CYS . 2.7 m 43.28 43.05 3.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.512 179.837 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.787 -179.901 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.886 0.374 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -133.24 169.18 17.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 58.24 75.81 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.33 179.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -98.58 -101.55 0.21 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.477 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' HA ' ' HB2' ' A' ' 14' ' ' ARG . 6.6 tpp180 174.82 133.7 0.04 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.867 0.365 . . . . 0.0 111.399 179.751 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -129.23 111.65 23.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.571 179.323 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 1.6 m -66.44 91.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 -179.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -80.31 171.64 14.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.679 179.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 62.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 112.165 -179.299 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 11' ' ' ILE . . . 166.73 -35.14 0.23 Allowed Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.094 179.457 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -156.13 -162.79 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-O 120.5 0.191 . . . . 0.0 111.376 -179.35 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.553 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 0.7 OUTLIER -142.19 94.79 2.7 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.562 -179.895 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.476 ' CD2' ' CG1' ' A' ' 11' ' ' ILE . 43.5 m-85 -151.86 146.99 26.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.424 179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -95.32 -166.29 1.43 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.954 0.407 . . . . 0.0 111.08 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -141.32 24.2 2.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.82 24.41 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.847 0.356 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 17.1 m95 61.32 151.58 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.818 179.86 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 16' ' ' CYS . 1.2 m -179.43 95.94 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.858 0.361 . . . . 0.0 111.573 179.264 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 75.5 t80 170.02 79.7 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.299 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.524 ' HG2' ' HB2' ' A' ' 15' ' ' ARG . 15.6 tpp85 -108.86 -109.08 0.33 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -179.531 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG21 ' HG3' ' A' ' 14' ' ' ARG . 21.2 t -72.72 117.68 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-O 120.669 0.271 . . . . 0.0 111.514 -179.256 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -111.76 96.19 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.448 ' CE2' ' CG1' ' A' ' 6' ' ' VAL . 14.4 m-85 -120.65 156.36 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.567 179.672 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.2 -71.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.46 34.14 0.08 OUTLIER Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.945 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -170.04 157.27 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.945 ' N ' HD13 ' A' ' 11' ' ' ILE . 39.2 m -102.19 118.53 37.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.06 0.457 . . . . 0.0 111.051 -179.56 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.811 ' CD2' HD12 ' A' ' 11' ' ' ILE . 1.2 m-85 -126.26 -163.81 1.26 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.233 -179.35 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 4.1 mmt85 81.02 -91.48 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.524 ' HB2' ' HG2' ' A' ' 5' ' ' ARG . 0.9 OUTLIER -108.62 -176.67 3.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.662 0.267 . . . . 0.0 110.491 179.712 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.505 ' CB ' ' HA ' ' A' ' 3' ' ' CYS . 1.2 m -135.35 86.02 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.212 -179.797 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.797 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.822 0.344 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.409 ' CH2' ' HB3' ' A' ' 16' ' ' CYS . 19.4 t-105 57.32 164.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.012 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 16' ' ' CYS . 6.0 p -67.44 141.63 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.371 -179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -112.66 56.7 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.041 179.407 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' HA ' ' HB3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.96 91.85 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.663 -179.285 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 4' ' ' PHE . 39.5 t -156.51 117.29 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.63 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.2 74.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.698 ' HB2' HG22 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -66.35 173.73 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.847 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.19 65.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.248 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.98 -24.77 2.09 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.732 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -117.96 154.76 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.616 -179.562 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.8 m -157.23 117.33 3.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.844 179.634 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' CG1' ' A' ' 11' ' ' ILE . 65.6 m-85 -149.36 118.24 6.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 -179.794 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' HB3' ' HA ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -151.05 38.43 0.66 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.023 179.757 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.55 93.92 9.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.948 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . 58.6 m -81.84 83.98 7.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.812 179.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -167.1 82.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.796 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 1.7 p -179.79 -178.78 0.46 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.86 143.1 2.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.25 118.8 15.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 7' ' ' CYS . 12.0 p -177.72 159.91 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.199 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' N ' HG22 ' A' ' 6' ' ' VAL . 34.9 m -150.62 143.4 24.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.64 179.749 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CG ' ' O ' ' A' ' 7' ' ' CYS . 43.0 m-85 -159.22 142.6 14.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.0 0.429 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.1 mtp85 49.65 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.703 179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.41 -34.22 0.96 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.615 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.412 HG12 ' CE1' ' A' ' 13' ' ' TYR . 4.9 tt -66.08 166.32 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.673 0.273 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -160.69 104.45 1.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.966 0.412 . . . . 0.0 111.18 179.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 6' ' ' VAL . 16.6 m-30 -96.01 33.47 1.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.58 179.433 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -61.37 -43.94 98.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.813 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.0 mtm-85 -74.94 -67.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.235 0.54 . . . . 0.0 110.563 179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 0.1 OUTLIER 169.93 97.46 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.919 179.583 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.736 -179.96 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.781 0.324 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.412 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 39.9 p-90 -177.2 134.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 t -176.02 -92.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 69.46 116.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 16' ' ' CYS . 11.0 mtm180 56.91 113.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.334 179.345 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.694 HG22 ' H ' ' A' ' 7' ' ' CYS . 1.6 p -170.99 -179.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.426 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.694 ' H ' HG22 ' A' ' 6' ' ' VAL . 4.2 m -76.74 169.32 18.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.968 0.413 . . . . 0.0 111.261 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -158.46 119.44 3.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 65.93 -71.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.22 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.28 -33.63 0.14 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.901 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.937 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -81.26 140.46 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.758 0.313 . . . . 0.0 110.797 -179.894 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.937 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.3 m -106.57 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.8 ' CE2' HD12 ' A' ' 11' ' ' ILE . 40.9 m-85 -114.96 92.52 3.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.739 179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' HB2' ' HB3' ' A' ' 5' ' ' ARG . 2.4 mmt85 75.08 -142.59 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -152.45 155.65 37.92 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.792 0.33 . . . . 0.0 111.405 -179.095 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 5' ' ' ARG . 0.1 OUTLIER -165.29 -43.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.072 0.463 . . . . 0.0 111.08 179.445 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.705 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 3' ' ' CYS . 1.7 tmtp? . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 121.055 0.455 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.404 ' HB3' ' CD2' ' A' ' 4' ' ' PHE . 0.2 OUTLIER 65.77 -72.34 0.08 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.051 179.871 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 56.73 29.45 15.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.026 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 6' ' ' VAL . 47.6 m-85 -57.39 -92.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.694 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.512 ' O ' ' HB ' ' A' ' 6' ' ' VAL . 1.8 mmp_? 48.78 -156.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.077 179.696 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 5' ' ' ARG . 44.6 t 96.27 -108.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.042 0.537 . . . . 0.0 111.213 179.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -175.92 113.98 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.756 0.312 . . . . 0.0 110.679 -179.74 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -116.22 161.59 18.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 65.07 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 168.12 -29.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.044 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.919 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -159.92 136.77 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.884 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.919 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.5 m -114.25 138.92 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 111.182 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.443 ' CD2' HD12 ' A' ' 11' ' ' ILE . 2.1 m-85 -130.8 163.22 27.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -49.07 -91.74 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.652 -179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.05 -37.72 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.804 0.335 . . . . 0.0 111.547 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.66 114.77 1.17 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.995 0.426 . . . . 0.0 111.286 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.44 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 2.1 t90 66.21 14.01 9.44 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 63.9 86.28 0.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 110.3 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -171.48 175.07 4.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 mtm-85 -72.78 87.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.81 135.02 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.159 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -130.54 129.75 43.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.698 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -168.03 166.01 13.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 67.83 -68.11 0.17 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.991 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 175.13 39.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.909 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -165.11 139.63 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.794 0.33 . . . . 0.0 110.896 -179.817 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.909 ' N ' HD13 ' A' ' 11' ' ' ILE . 1.2 m -103.04 116.81 33.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 11' ' ' ILE . 43.9 m-85 -112.19 129.16 56.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.679 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -29.25 25.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.99 -164.94 0.09 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.259 179.616 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -104.58 -160.23 0.75 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' N ' ' SG ' ' A' ' 16' ' ' CYS . 5.0 mtm-85 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.73 -179.994 . . . . . . . . 1 1 . 1 stop_ save_