data_1wmj_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 1wmj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.935 0.398 . . . . 70.2 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.27 31.35 3.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 73.13 112.468 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.83 -178.45 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 74.14 111.118 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 28.4 m -52.95 95.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.11 111.16 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 64' ' ' LYS . 17.0 mm -43.39 168.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -138.73 60.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -47.48 159.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.843 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 37.0 m80 -165.26 36.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.3 p-10 -178.77 26.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 54.15 110.873 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.9 -69.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.904 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.61 -46.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.87 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -39.71 66.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.883 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.31 -39.83 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.22 110.891 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.574 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.51 -40.6 80.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 70.4 110.871 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.87 -22.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 55.32 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LYS . 17.6 mp0 -105.24 -54.34 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 70.03 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -46.31 -25.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.1 110.888 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.07 -25.21 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 72.22 111.106 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.5 mttm -82.86 22.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.883 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.08 -45.74 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.42 111.078 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -42.14 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -86.89 -39.41 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 64.03 110.872 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 23' ' ' LYS . . . -64.34 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.33 111.078 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 36.26 7.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 71.31 112.432 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 9.5 ptpt -136.32 157.37 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 74.33 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -69.31 163.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 73.21 111.118 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.581 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 42.2 t -113.36 143.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.13 111.126 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.3 mp -141.32 97.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 71.35 111.128 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -99.05 128.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.41 111.111 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.512 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 4.3 t0 -101.85 89.06 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.828 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 32.3 m-85 -61.73 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.892 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.12 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.804 0.335 . . . . 71.42 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.6 -43.12 85.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 74.01 110.871 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.66 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.09 8.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 72.15 111.115 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -55.94 -55.2 43.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 70.44 111.091 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.74 4.23 2.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 62.24 112.372 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 4.8 t -98.78 -49.08 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 63.54 111.092 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.66 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 14.7 m-30 -63.16 -71.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.477 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.03 -48.98 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.079 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -63.25 -31.45 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 75.42 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.9 m-30 -70.83 -44.99 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.911 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.53 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -43.18 -43.42 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 73.02 111.087 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -78.65 -42.06 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 75.41 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.01 -27.42 31.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.872 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 109' ' ' ILE . 18.2 m-85 -115.27 90.3 23.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.21 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.56 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 72.45 112.348 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.521 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.43 20.07 43.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 71.43 112.485 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.605 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.51 164.64 34.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.45 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 30.7 m -97.38 -36.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.42 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 88.0 m-85 58.31 152.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.85 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 170.48 149.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.96 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.525 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.1 133.36 53.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 75.04 110.889 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -127.92 167.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.118 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 11.3 t0 -113.77 122.3 46.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.836 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.2 m -82.56 34.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.138 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 -18.36 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.886 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -118.68 -32.56 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -129.61 23.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.67 -34.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.949 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -36.13 -28.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.42 110.873 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.4 t -78.16 -44.79 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 74.12 111.104 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -68.31 -33.18 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.111 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.06 -23.36 66.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.854 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.527 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -80.22 -32.62 38.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.895 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.552 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-85 -96.35 -16.0 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.887 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.544 0.688 . . . . 74.21 110.903 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.5 Cg_endo -69.82 36.31 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.641 2.227 . . . . 65.41 112.331 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -58.88 120.28 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.118 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.78 40.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -33.12 142.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.3 110.946 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.2 m-85 -118.62 155.01 31.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.907 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.552 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.3 mm -139.34 74.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.1 111.144 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 11.3 ttmt -76.68 123.55 26.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.874 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 1.9 t70 81.49 -6.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.35 110.871 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.97 43.2 3.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 75.33 112.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.67 -86.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 72.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -177.6 103.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.913 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.48 -33.92 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.12 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.18 179.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.86 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 170.1 15.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 34.3 t -141.44 -95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.41 111.135 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.559 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 159.32 144.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.01 111.124 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -91.9 49.23 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 65.35 112.47 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' C ' ' HD2' ' A' ' 101' ' ' ARG . . . -155.5 14.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 74.02 111.112 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 7.8 mpt_? -127.0 110.43 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.838 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -83.06 7.2 16.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.91 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -126.59 -8.21 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.851 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.74 -18.86 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.4 tp -78.72 -75.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.951 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.601 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -48.86 -18.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.3 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.488 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 2.9 t30 -80.24 -33.75 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.88 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.557 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -81.6 -40.54 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.146 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.568 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -60.86 -26.44 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.22 111.151 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 111' ' ' LYS . 34.5 m -78.24 -29.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.153 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.49 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -80.39 -27.9 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.919 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 108' ' ' THR . 23.7 m-70 -101.29 -47.9 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.827 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.521 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.8 t -93.99 -31.45 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.11 111.112 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.52 72.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 71.35 112.525 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 70.22 111.054 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.905 0.383 . . . . 73.35 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 27.51 4.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 71.51 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -107.43 178.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 75.21 111.131 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 32.6 m -50.89 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.35 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 ' NE2' ' A' ' 20' ' ' GLN . 22.6 mm -42.36 167.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.145 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -140.73 79.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 61.32 111.104 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 26.3 p -68.29 177.42 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.896 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 27.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.14 110.851 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -174.8 27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.898 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.6 ttmt 66.59 -67.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.894 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -27.32 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 70.05 110.891 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -81.75 -44.13 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.91 -35.78 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.882 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.607 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.3 -45.46 69.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.852 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.93 -23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.08 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ASP . 2.0 mp0 -104.85 -51.08 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.864 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.95 -31.08 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.917 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -92.13 -19.89 21.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 64.12 111.18 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.84 23.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.882 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.5 -51.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 71.24 111.037 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -60.03 -51.0 71.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.851 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.7 -44.96 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.924 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.7 -26.63 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.35 111.105 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.65 34.18 16.83 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.695 -0.764 . . . . 55.22 112.459 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -127.2 161.18 29.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 71.21 110.904 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -74.02 161.4 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.132 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 53.1 t -116.48 150.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.569 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.2 mp -143.41 94.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.102 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -95.65 127.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.111 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.76 93.62 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.851 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.549 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 31.4 m-85 -64.65 -167.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.838 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.44 111.201 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.836 0.351 . . . . 74.55 110.811 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -68.24 -42.3 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 65.23 110.927 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.643 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.0 tt -104.02 10.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.34 111.121 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.49 -54.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 73.3 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 3.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.2 112.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.572 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 5.3 t -98.24 -48.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.643 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.0 m-30 -63.98 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.865 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -43.89 -49.29 8.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 65.22 111.077 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.71 -33.44 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.3 m-30 -69.16 -44.8 71.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.913 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -43.82 -43.03 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 73.33 111.128 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 13.0 mtpp -78.96 -42.96 25.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -54.15 -25.29 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.86 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 109' ' ' ILE . 14.3 m-85 -117.73 89.07 32.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 74.52 110.866 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.07 17.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.13 112.344 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -90.76 19.81 42.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 74.53 112.517 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.569 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -147.88 168.1 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.01 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 16.1 m -101.16 -34.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 53.54 111.113 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 85.5 m-85 55.93 161.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 161.22 147.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.26 132.29 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.909 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 14.7 p -121.97 161.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 61.21 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -116.26 113.02 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.86 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 2.6 m -78.63 39.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.5 111.153 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.92 -21.62 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.851 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -115.64 -35.31 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.937 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.9 pt? -126.99 24.83 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.11 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.93 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 pt-20 -33.56 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 17' ' ' PHE . 70.0 t -74.51 -47.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 73.3 111.107 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -65.8 -24.52 66.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 70.44 111.099 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.84 -19.43 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -86.67 -29.18 22.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.23 110.86 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.58 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.7 m-30 -98.71 -14.99 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.45 110.916 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.909 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.522 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.572 0.701 . . . . 74.44 110.881 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.79 21.3 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.32 112.371 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.522 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -46.11 128.76 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 65.03 111.138 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.638 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -89.1 43.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.5 110.892 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.496 HD11 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.58 140.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 27.7 m-85 -120.33 143.68 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.862 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.58 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.0 mm -128.7 82.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 63.32 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.6 ttpt -83.89 122.56 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.904 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.8 t70 82.4 -10.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 70.3 110.848 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.23 48.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -153.0 -85.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 73.11 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -176.34 107.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.875 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.95 -32.51 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.102 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.0 m-20 157.83 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.493 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.87 -176.05 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 30.2 t -155.88 -94.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.116 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.578 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 160.04 133.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.069 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -85.71 45.91 3.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 74.2 112.463 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.48 18.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 74.45 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -128.58 115.35 17.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 70.23 110.894 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 8.84 20.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.882 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.425 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 30.3 t70 -124.83 -10.96 7.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.872 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.02 -21.7 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 50' ' ' PHE . 30.3 tp -77.41 -76.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.696 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.38 -20.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.1 110.93 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.98 -34.47 33.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.874 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 97' ' ' VAL . 20.8 m -80.1 -41.07 26.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 71.43 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.16 -26.78 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 111' ' ' LYS . 33.5 m -78.84 -28.69 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.148 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.495 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -81.3 -28.6 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.9 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.443 ' CE1' ' CG ' ' A' ' 111' ' ' LYS . 19.1 m-70 -100.97 -45.0 5.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.506 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.7 t -97.0 -30.38 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 70.2 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.46 -11.64 68.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.21 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 73.22 111.106 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.845 0.355 . . . . 61.32 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.3 26.91 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 62.25 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.91 175.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 70.21 111.119 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG1' ' HB1' ' A' ' 54' ' ' ALA . 33.5 m -50.34 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 65.52 111.103 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 21.4 mm -46.2 167.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.04 111.153 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.466 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -144.23 83.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.11 111.125 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 23.3 p -67.37 179.42 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.866 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 17.6 m-70 -177.15 37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 176.57 24.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.89 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 66.88 -67.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.873 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -27.95 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.874 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -80.12 -44.44 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 70.33 110.862 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.11 -35.82 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.865 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 2.3 m-20 -73.2 -33.72 65.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.24 -22.62 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.18 -51.7 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.36 -19.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.878 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.11 -19.09 15.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.202 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.42 19.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 75.11 110.898 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.568 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.26 -45.78 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.132 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -62.69 -48.63 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.22 -47.37 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.868 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.19 -27.48 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.11 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.4 35.73 11.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 63.42 112.516 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -128.0 158.29 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 71.45 110.925 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -70.13 161.94 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.144 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.568 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 19.9 t -116.9 149.03 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 65.31 111.142 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.554 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.2 mp -143.26 95.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.152 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -94.98 129.78 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.31 92.81 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.855 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 43.4 m-85 -65.97 -167.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.145 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.836 0.35 . . . . 71.13 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -69.93 -42.35 73.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 71.41 110.885 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.659 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 2.4 tt -105.92 10.95 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.566 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.79 -55.79 41.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 64.15 111.107 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.75 4.98 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 74.24 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 11.4 t -99.2 -48.66 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.7 m-30 -63.66 -72.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.862 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.1 -48.86 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.35 111.115 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.54 -33.41 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.916 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.8 m-30 -69.2 -46.01 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 73.04 110.923 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -42.77 -44.06 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -77.13 -43.21 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -54.7 -25.52 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 109' ' ' ILE . 16.6 m-85 -117.08 87.75 24.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.74 . . . . 75.43 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.91 14.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 60.24 112.403 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.68 18.84 51.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 70.24 112.497 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.554 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -145.31 171.31 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 74.13 111.129 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 10.6 m -104.02 -34.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.129 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 89.1 m-85 55.96 160.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.92 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 160.77 147.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.921 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.21 135.88 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.909 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' CG1' ' CG2' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.2 165.66 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.04 111.148 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' O ' HD21 ' A' ' 70' ' ' LEU . 45.8 t0 -114.58 115.73 27.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 60.13 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG12 ' CB ' ' A' ' 74' ' ' ALA . 4.3 m -80.13 38.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.072 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -128.93 -22.29 3.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.852 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' OE2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.82 -33.0 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.891 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -128.41 20.73 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.885 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.892 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.5 pt-20 -34.33 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 71' ' ' LYS . 76.4 t -76.36 -46.74 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 70.23 111.087 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -64.58 -33.06 75.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.98 -24.5 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.911 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.44 -31.61 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.885 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.9 m-85 -98.51 -14.72 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.897 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.929 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.618 0.723 . . . . 64.3 110.859 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 54.1 Cg_endo -69.76 22.66 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.234 . . . . 65.22 112.41 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -44.1 128.24 5.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.193 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.645 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -88.71 40.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.55 110.911 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.51 142.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.52 110.899 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 19.9 m-85 -120.02 152.78 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.8 mm -137.71 77.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.16 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 7.8 ttpt -78.56 123.73 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.3 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.1 t0 81.61 -12.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.89 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.0 44.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.25 112.524 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.73 -87.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 73.14 111.131 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -175.72 107.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 71.35 110.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -90.85 -32.52 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 65.13 111.129 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.69 178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.853 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.21 174.47 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 50.1 t -146.53 -98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.13 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.559 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 166.92 135.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.23 111.099 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -83.23 43.42 3.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 63.31 112.512 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.33 14.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.318 . . . . 75.03 111.084 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -123.46 113.0 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.4 4.65 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.911 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 14.4 t70 -125.92 -7.9 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.891 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -108.82 -18.46 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.865 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 50' ' ' PHE . 35.0 tp -80.34 -75.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.949 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.678 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.85 -19.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.916 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -79.46 -34.55 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.15 110.881 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.579 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 2.6 m -80.52 -38.05 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.23 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -63.34 -26.27 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.077 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 35.0 m -79.13 -30.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.082 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.493 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -79.09 -28.2 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.873 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.529 ' CD2' HG23 ' A' ' 108' ' ' THR . 21.8 m-70 -101.51 -47.2 4.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.816 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.515 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.6 t -94.51 -30.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 63.24 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.68 -17.72 74.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 72.45 112.446 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 71.41 111.103 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 73.21 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.57 30.5 4.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.521 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.4 m -110.04 -179.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 73.55 111.132 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 26.9 m -51.8 95.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.146 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 64' ' ' LYS . 30.2 mm -42.06 165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.138 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.446 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -135.94 60.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.03 111.123 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -45.03 160.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.842 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -167.1 35.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.84 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.572 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.1 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 70.23 110.914 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 65.62 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.907 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.34 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.899 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.19 -42.64 20.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.86 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.38 -39.38 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.853 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.6 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -68.74 -39.27 80.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.88 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.04 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ASP . 1.2 mp0 -107.22 -52.15 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.86 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.57 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.97 -25.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.15 110.861 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.64 -23.13 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 71.21 111.122 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.2 mttm -84.19 27.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.829 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.89 -45.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.898 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.14 -39.9 15.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 71.44 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 -30.28 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.48 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 70.24 112.536 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD3' ' C ' ' A' ' 60' ' ' ALA . 8.9 ptpt -133.24 158.99 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 71.44 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -71.36 160.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 74.21 111.141 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.2 t -113.0 146.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.111 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.592 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -142.87 96.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.18 127.53 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.23 111.167 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t70 -102.43 84.69 2.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 29.6 m-85 -56.22 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.919 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.34 111.096 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 74.51 110.888 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CG ' ' A' ' 44' ' ' ARG . 81.6 t80 -56.27 -42.4 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.843 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.29 10.97 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.118 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.21 -54.8 50.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 73.12 111.088 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.78 4.82 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 75.43 112.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 4.5 t -99.55 -48.46 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.069 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.6 m-30 -64.23 -71.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.86 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -49.27 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.11 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.15 -32.68 73.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.875 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.9 m-30 -69.91 -45.91 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.907 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -41.88 -43.8 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.33 111.066 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 9.4 mtpp -78.32 -42.24 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.906 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 109' ' ' ILE . 15.9 m-85 -110.45 89.1 8.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 72.43 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.8 10.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 74.43 112.345 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.499 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -94.01 19.11 54.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 45.42 112.514 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -150.37 163.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 74.3 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 28.2 m -95.55 -37.37 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 71.42 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 87.9 m-85 58.93 150.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER 175.4 151.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -126.48 127.69 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.89 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.81 166.56 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.21 111.138 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 18.8 t0 -110.45 120.6 42.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 21.9 m -82.58 34.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.079 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.86 -19.26 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.848 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.554 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 8.8 pt-20 -117.06 -33.09 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -128.25 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.938 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.3 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.879 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.5 pm0 -35.88 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.917 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 17' ' ' PHE . 57.7 t -79.75 -44.97 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.15 111.091 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -69.15 -35.28 76.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 53.2 111.125 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.72 -26.57 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.66 -34.03 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.874 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.5 m-85 -93.52 -13.12 28.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.927 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.874 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.527 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.514 0.673 . . . . 75.34 110.9 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.71 21.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.721 2.281 . . . . 74.24 112.346 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -44.77 128.75 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 73.21 111.155 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -86.35 38.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -30.55 143.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.921 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -120.75 157.21 30.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.836 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.3 mm -142.03 75.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.52 111.118 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.0 ttpt -77.34 122.01 24.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.903 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 83.69 -13.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.887 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.55 42.94 1.92 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 74.34 112.504 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.68 -88.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.31 . . . . 74.23 111.086 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.43 104.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.91 -33.48 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.42 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.05 179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 171.78 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.541 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 40.5 t -142.83 -95.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 75.22 111.118 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.541 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.17 131.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.01 111.17 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.08 43.68 2.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 71.21 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.37 14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 74.22 111.069 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -124.65 113.86 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.878 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.81 11.96 16.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.925 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.87 -4.21 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.855 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -112.63 -34.92 5.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 62.03 110.904 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 85' ' ' PHE . 12.8 tp -60.75 -70.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.946 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -51.76 -22.75 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.891 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.0 OUTLIER -75.92 -30.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.91 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 1.5 m -84.43 -40.72 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.35 111.145 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.72 -24.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 111' ' ' LYS . 33.1 m -79.6 -28.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 110' ' ' VAL . 1.3 ptmt -81.7 -28.22 33.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.89 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.564 ' CD2' HG22 ' A' ' 108' ' ' THR . 21.4 m-70 -100.37 -48.51 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.856 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.499 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 4.1 t -94.24 -30.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -77.97 -9.29 87.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 60.11 112.479 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 61.24 111.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.873 0.368 . . . . 73.02 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.3 24.53 3.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 74.23 112.497 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -108.44 177.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 73.32 111.131 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 24.9 m -51.41 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 71.3 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 35.7 mm -42.99 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.15 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.457 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.36 58.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.078 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -48.89 162.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.54 110.882 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 9.1 p80 -169.62 33.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.875 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.0 p-10 -174.75 25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.852 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 63.93 -70.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.917 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -28.99 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.875 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.3 mt-10 -79.54 -43.56 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.827 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.07 -39.45 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.851 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -66.86 -45.0 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.49 -24.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.098 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.9 mp0 -101.13 -57.61 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.907 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.592 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.67 -21.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.906 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -95.61 -26.91 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.14 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.1 mttt -82.5 22.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 72.02 110.899 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.585 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.96 -46.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.077 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -38.57 86.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.24 110.874 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -89.28 -41.53 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.882 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.114 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.23 35.6 6.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 63.15 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' CD ' HG12 ' A' ' 61' ' ' VAL . 8.3 ptpt -136.48 155.17 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 74.52 110.865 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -69.18 163.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.15 111.152 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.585 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 42.2 t -114.37 146.67 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 63.25 111.114 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.8 mp -142.5 96.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -98.26 126.77 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.23 111.145 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.52 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t0 -100.28 91.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.857 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 m-85 -61.92 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 72.45 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 54.1 111.158 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.804 0.335 . . . . 74.32 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.8 -42.82 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.22 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -103.53 11.17 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.079 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.23 -54.26 56.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 72.22 111.132 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 61.0 112.344 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.554 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.5 t -99.29 -48.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.158 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.1 m-30 -63.79 -71.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.903 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.488 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -45.07 -48.96 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 71.55 111.12 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.88 -33.04 74.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.914 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.7 m-30 -69.52 -46.46 66.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.476 ' CB ' HG12 ' A' ' 8' ' ' VAL . . . -41.11 -44.15 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 70.14 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 10.4 mtpp -76.43 -39.67 52.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.853 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -58.67 -26.86 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.901 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 109' ' ' ILE . 17.5 m-85 -114.66 88.44 16.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 74.21 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.57 14.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 72.41 112.346 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.492 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.37 19.02 49.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 71.52 112.516 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.596 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.31 165.37 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 75.11 111.08 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG12 ' CD ' ' A' ' 29' ' ' LYS . 35.6 m -97.87 -35.03 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.159 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 90.3 m-85 57.1 158.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.54 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.545 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 165.58 148.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.908 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.545 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.38 131.78 53.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.898 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.84 166.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.32 111.106 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 21.3 t0 -111.28 123.03 49.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.888 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 35' ' ' PHE . 3.2 m -82.43 33.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.091 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -126.48 -17.01 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.878 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -116.03 -33.57 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -128.99 23.14 5.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.923 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.7 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 74.53 110.908 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -34.23 -30.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.891 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 71' ' ' LYS . 48.1 t -81.28 -46.66 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.33 111.102 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.96 -27.51 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.064 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.9 -32.95 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 72.54 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -73.87 -31.06 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 23.0 m-85 -98.69 1.46 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.908 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.4 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.34 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.603 0.716 . . . . 72.41 110.88 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.74 18.46 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.681 2.254 . . . . 75.32 112.369 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -43.33 120.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.43 111.158 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.68 40.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.857 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.62 141.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 73.2 110.917 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.631 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.9 m-85 -120.09 154.48 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 3.7 mm -139.06 79.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 74.21 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 1.0 OUTLIER -81.77 122.65 27.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.879 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.5 t0 82.92 -12.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.74 47.39 1.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 64.21 112.485 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.87 -89.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 64.24 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -172.36 103.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.87 -32.76 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.115 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 157.11 179.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.77 173.85 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 74.25 110.901 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.575 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 40.7 t -144.0 -97.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.42 111.106 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.575 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.48 125.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 75.01 111.123 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.8 49.13 2.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 74.21 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.01 11.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 54.05 111.101 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -123.59 110.87 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.48 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -80.64 1.0 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.925 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 21.1 t70 -123.84 -7.1 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.844 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -107.32 -18.38 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 85' ' ' PHE . 39.2 tp -78.88 -74.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.686 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -49.63 -17.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 63.4 110.903 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.462 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.24 -34.0 37.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.92 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.547 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -82.07 -37.22 26.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.21 111.137 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -64.42 -25.92 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.2 111.167 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 111' ' ' LYS . 35.1 m -78.27 -29.92 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.01 111.152 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.5 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -79.7 -28.59 40.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.876 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.48 ' CD2' HG21 ' A' ' 108' ' ' THR . 22.2 m-70 -100.77 -47.84 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.848 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.6 t -94.22 -30.71 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.25 111.157 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.23 -11.16 85.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 73.53 112.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 71.15 111.102 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.898 0.38 . . . . 71.33 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.49 21.1 7.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 71.44 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.5 m -104.62 -179.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 45.45 111.166 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 27.4 m -52.35 95.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 42.7 mm -42.08 165.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.06 74.76 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 73.1 111.138 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -58.34 161.72 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 61.12 110.892 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -166.97 34.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.15 110.848 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.92 27.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.22 110.928 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 65.3 -69.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.843 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.32 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 74.33 110.881 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -80.44 -42.77 22.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.892 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.56 -48.67 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.914 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -64.15 -43.92 93.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.41 110.87 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.14 -36.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 43.24 111.073 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' OE1' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.47 -53.15 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.93 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.44 ' HE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.29 -33.84 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.889 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -77.03 -27.5 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 71.12 111.106 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' CE ' ' OE1' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -80.04 24.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.85 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.601 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.22 -52.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.21 111.129 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -44.0 97.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 22' ' ' THR . 1.1 pt-20 -86.38 -40.1 15.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.54 73.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.81 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 75.13 112.475 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 9.7 ptpt -138.51 155.85 48.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 70.42 110.915 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -66.81 163.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.45 111.113 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.601 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 14.8 t -114.25 146.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.15 111.135 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.5 mp -142.61 96.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 74.44 111.112 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.05 126.68 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.148 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -103.47 86.08 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.847 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 83' ' ' PRO . 39.0 m-85 -58.44 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 63.54 111.164 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.832 0.349 . . . . 73.43 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -81.13 -40.99 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.652 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -106.1 9.78 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.167 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.51 -55.65 40.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 74.05 111.142 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.67 4.44 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.749 2.3 . . . . 74.23 112.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 10.0 t -99.1 -49.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.11 111.142 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.3 m-30 -62.67 -71.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.9 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.82 -49.38 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.15 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.87 -31.56 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.4 m-30 -70.7 -45.88 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.912 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . . . -41.58 -43.74 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 75.13 111.074 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 13.8 mtpp -77.19 -41.67 40.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.88 -30.25 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.872 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 109' ' ' ILE . 18.8 m-85 -111.78 88.05 9.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 74.31 110.87 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 64.13 112.301 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -100.6 21.02 45.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 32.21 112.486 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.583 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.8 162.86 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 54.25 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 35.2 m -92.34 -37.19 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.111 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 86.0 m-85 58.11 153.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 168.06 148.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.889 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 133.66 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.918 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 36' ' ' THR . 91.0 t -116.21 161.71 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.03 111.125 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.475 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -118.1 112.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.55 110.867 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 2.0 m -80.57 34.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.16 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 66' ' ' ASP . 15.4 t0 -130.51 -6.08 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.871 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 10.4 pt-20 -131.6 -34.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 71.11 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.8 pt? -130.17 23.93 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.9 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.87 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.9 pt-20 -34.77 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 69.0 t -77.85 -47.76 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -62.47 -33.92 75.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.136 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -24.65 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -79.01 -30.91 44.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 21.9 m-85 -97.76 -17.83 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.895 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.525 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.572 0.701 . . . . 74.12 110.859 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.81 22.44 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 65.44 112.355 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -44.43 125.41 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.114 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -84.45 40.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.885 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.12 143.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.88 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 16.9 m-85 -120.66 159.1 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.881 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.52 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 4.6 mm -144.02 75.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.34 111.117 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -77.09 121.25 23.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.912 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.5 t70 84.05 -12.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.05 41.63 2.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 75.3 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.86 -88.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 71.14 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.85 105.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -87.82 -33.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.25 111.094 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.5 m-20 158.71 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.861 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.06 -178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.862 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 40.3 t -153.04 -96.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.2 111.126 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.55 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.65 131.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.127 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.8 43.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 33.02 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.62 11.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 61.51 111.097 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -124.75 114.63 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.89 3.92 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.902 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.437 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 23.1 t0 -123.14 -7.22 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.845 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.839 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 50' ' ' PHE . 23.6 tp -79.47 -74.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.704 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.13 -18.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.912 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 3.7 t30 -79.79 -32.17 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.609 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.0 m -84.09 -38.28 20.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 63.54 111.124 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.578 HG23 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -63.62 -25.12 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.113 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.509 HG21 ' N ' ' A' ' 111' ' ' LYS . 34.1 m -78.74 -29.77 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.509 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -80.57 -28.16 37.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.89 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 108' ' ' THR . 25.1 m-70 -100.85 -47.8 4.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.848 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.3 t -94.79 -29.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -80.12 -9.4 86.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 74.14 112.481 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 75.21 111.049 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.851 0.357 . . . . 71.41 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.09 30.94 3.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.496 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.27 177.27 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 73.22 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -49.47 95.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.51 111.098 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.432 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 24.0 mm -43.01 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.12 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.52 62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 73.15 111.113 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.73 162.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.903 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 17.2 p80 -169.62 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.561 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.83 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.91 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 65.69 -68.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.868 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -30.96 -37.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.876 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -83.66 -42.46 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.889 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.92 -44.95 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.876 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.95 -39.41 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 61.44 110.886 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -45.28 -21.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -105.58 -55.37 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.894 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.465 ' CA ' ' HE1' ' A' ' 21' ' ' MET . 0.0 OUTLIER -47.3 -24.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.905 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -90.56 -26.07 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.132 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 4.2 mttm -82.87 19.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.858 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -119.98 -47.23 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.41 111.091 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -48.8 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 72.54 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.97 -45.42 50.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.86 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.26 -28.25 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.22 13.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 72.21 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -125.36 166.61 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 63.42 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -79.55 159.38 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.14 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 37.5 t -112.51 148.01 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 75.33 111.132 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.59 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.8 mp -142.11 95.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.472 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.07 123.8 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.41 111.09 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 85' ' ' PHE . 3.0 m-20 -100.44 95.26 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 65.41 110.838 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CD1' HG11 ' A' ' 67' ' ' VAL . 45.6 m-85 -68.15 -170.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 71.51 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 35' ' ' PHE . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 54.11 111.128 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 74.03 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.41 -42.93 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -104.94 9.71 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.163 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.57 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.44 -55.37 43.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 70.55 111.111 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.82 4.48 2.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 51.35 112.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.57 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.2 t -99.31 -48.09 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 75.13 111.16 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.1 m-30 -64.49 -71.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -44.79 -49.33 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.35 111.12 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -62.51 -32.27 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.899 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -71.4 -44.86 64.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.915 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -42.28 -43.27 3.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.079 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -78.17 -40.68 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.41 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -56.2 -28.34 57.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.901 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 109' ' ' ILE . 12.6 m-85 -114.96 89.58 20.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 75.51 110.898 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.9 29.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 71.22 112.372 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.508 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -84.78 19.53 20.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.438 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.59 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -148.89 166.29 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 72.43 111.123 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 32.4 m -96.93 -38.47 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.096 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 89.9 m-85 59.23 146.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 73.04 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 174.33 146.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.909 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.51 134.22 55.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.903 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.22 162.45 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 74.24 111.117 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 13.3 t70 -107.08 127.92 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.888 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 35' ' ' PHE . 2.9 m -84.25 29.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.16 -20.42 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.854 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -111.84 -35.21 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.4 pt? -127.3 24.13 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.05 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.866 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.5 pt-20 -35.68 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.878 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' LYS . 74.4 t -82.26 -44.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.108 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -67.23 -31.6 72.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.087 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.78 -21.88 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.34 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.592 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.98 -32.03 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 72.41 110.852 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.8 m-85 -95.82 -20.57 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.33 110.911 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.617 0.722 . . . . 70.32 110.837 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.9 Cg_endo -69.8 21.54 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 74.24 112.361 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.524 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -48.18 128.55 14.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.122 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -88.43 41.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.878 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD11 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.29 137.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -116.17 152.99 32.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.1 mm -138.67 80.07 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 65.21 111.137 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.4 ttpt -80.53 122.07 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.51 110.894 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.7 t70 81.91 -7.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 71.14 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.33 42.97 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 65.1 112.496 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -144.73 -87.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 75.24 111.098 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -175.1 105.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 74.24 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -87.49 -34.02 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.31 111.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.0 m-20 157.09 179.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.805 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.61 -179.73 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.883 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.609 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 13.1 t -151.94 -92.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.22 111.151 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.609 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.16 134.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 63.31 111.155 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -86.96 42.18 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 63.13 112.474 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -154.37 15.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 61.22 111.108 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -123.48 114.06 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 73.13 110.884 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.53 12.18 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.864 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -5.62 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.873 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.73 -30.41 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.551 HD23 ' CE1' ' A' ' 50' ' ' PHE . 15.3 tp -65.27 -76.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.907 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -46.08 -35.2 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.937 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.488 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.5 t30 -63.12 -33.72 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.838 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 112' ' ' HIS . 6.1 m -80.9 -47.0 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.58 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -53.71 -27.97 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.51 111.109 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 111' ' ' LYS . 29.1 m -78.32 -27.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.12 111.082 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -82.53 -27.6 31.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.928 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 108' ' ' THR . 20.8 m-70 -102.46 -47.52 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.882 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.508 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.1 t -93.65 -30.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.72 -10.59 86.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 44.54 112.476 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 74.03 111.116 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.903 0.383 . . . . 63.31 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.05 29.33 3.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 44.15 112.457 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 176.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 74.53 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 27.1 m -50.42 95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.15 111.097 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 25.5 mm -43.0 167.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 75.01 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -139.6 74.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.111 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.29 175.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.469 ' C ' ' OE2' ' A' ' 69' ' ' GLU . 18.6 t-80 -179.42 30.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.562 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 177.14 26.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.878 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.93 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.861 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -31.47 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.879 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.06 -43.9 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CE2' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -51.46 -43.81 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.55 110.896 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.487 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.3 m-20 -68.62 -34.44 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -20.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.2 111.111 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.423 ' CD ' HG13 ' A' ' 9' ' ' ILE . 1.4 mp0 -104.68 -51.86 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.494 ' CA ' ' HE3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -48.35 -21.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.817 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.63 -23.88 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 72.23 111.15 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.8 mttt -83.54 20.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.919 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.51 -44.27 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 74.45 111.089 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.27 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.91 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.867 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.403 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . . . -63.72 -27.75 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.11 32.18 18.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 61.02 112.504 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -125.32 165.07 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 73.23 110.899 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -78.25 161.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 73.41 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.582 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 44.1 t -113.54 148.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.22 111.11 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.579 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -143.23 95.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.22 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -95.73 129.57 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.114 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.486 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -105.44 92.19 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.889 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 67' ' ' VAL . 29.4 m-85 -62.87 -164.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.869 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 74.33 111.132 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.848 0.356 . . . . 73.3 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.83 -48.24 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.644 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -102.09 10.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 73.2 111.089 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.36 -54.2 57.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 72.22 111.102 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.72 3.73 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 73.34 112.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.553 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.7 t -98.81 -48.46 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 51.41 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.644 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.8 m-30 -63.38 -70.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 8' ' ' VAL . . . -45.51 -48.99 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.21 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -63.43 -30.52 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 74.51 110.883 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -72.25 -45.57 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.955 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.479 ' CB ' HG12 ' A' ' 8' ' ' VAL . . . -41.36 -42.51 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 75.04 111.107 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.66 -41.07 39.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.45 110.907 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -53.77 -32.09 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.9 m-85 -111.51 89.72 11.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 71.4 110.88 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.07 13.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.635 2.223 . . . . 72.52 112.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -93.2 21.67 38.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 72.42 112.469 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.61 165.73 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.12 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 13.1 m -97.61 -35.05 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.138 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 85.7 m-85 56.99 158.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER 169.48 150.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 65.42 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.542 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.76 122.66 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 75.35 110.898 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 66' ' ' ASP . 85.5 t -107.37 161.4 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.104 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 65' ' ' VAL . 8.9 t0 -121.92 102.96 8.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 72.21 110.865 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 3.4 m -74.72 43.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.094 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 66' ' ' ASP . 6.1 t70 -133.56 -20.01 2.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.858 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.66 -29.69 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.87 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -127.37 21.65 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.908 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.78 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.903 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.2 pt-20 -34.46 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' A' ' 17' ' ' PHE . 53.9 t -76.2 -48.7 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 74.21 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -60.52 -32.07 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.107 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.15 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.887 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -74.56 -34.95 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.883 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.628 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.6 m-85 -94.51 -12.69 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 74.13 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.571 0.701 . . . . 75.31 110.874 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.73 20.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 71.41 112.363 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.52 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -47.33 126.69 9.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.01 111.186 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.643 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -85.63 41.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.901 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -31.48 144.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.881 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.0 m-85 -121.42 157.07 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.908 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.628 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.5 mm -142.54 77.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.156 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 4.5 ttpt -79.98 121.84 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t70 83.46 -12.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.869 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.75 45.02 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 42.11 112.472 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.3 -89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.321 . . . . 73.44 111.076 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -174.3 104.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.931 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -85.89 -34.07 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 157.52 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.15 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.79 174.03 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 70.45 110.936 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.542 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 37.2 t -143.03 -94.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 74.32 111.161 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.542 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 161.21 131.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.104 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -81.75 43.78 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 71.0 112.453 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.62 14.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 74.44 111.107 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -126.3 116.22 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.3 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -87.12 6.37 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.907 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.447 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -126.3 -7.48 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.852 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.99 -17.53 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.901 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.577 HD23 ' CE1' ' A' ' 50' ' ' PHE . 21.7 tp -81.09 -74.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.94 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.653 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -49.47 -18.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.906 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.6 -33.61 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.849 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.558 HG23 ' CZ ' ' A' ' 87' ' ' PHE . 3.7 m -81.17 -39.54 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.102 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -62.03 -26.6 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.55 111.158 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 34.9 m -78.26 -30.65 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.132 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.488 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.01 -28.89 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.917 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.519 ' CD2' HG22 ' A' ' 108' ' ' THR . 21.2 m-70 -100.5 -48.37 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.827 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 30' ' ' VAL . 3.1 t -93.33 -30.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.02 -9.18 87.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.514 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 74.31 111.134 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.949 0.404 . . . . 75.51 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.89 29.36 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 73.43 112.497 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -111.27 179.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 71.45 111.105 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 30.7 m -51.63 95.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.04 111.143 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 18.9 mm -42.77 168.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.123 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.03 56.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.132 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -43.43 160.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 54.02 110.874 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -168.36 38.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.859 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 176.85 28.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.48 -69.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.88 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.45 -38.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.892 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.3 mt-10 -80.89 -41.34 23.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.54 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.69 -45.12 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 71.51 110.883 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -68.11 -28.97 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -59.98 -7.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.137 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -117.67 -37.66 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.444 ' HE3' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -65.7 -16.84 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.854 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.87 -31.54 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.197 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -80.85 26.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.878 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.528 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.3 -42.37 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.33 111.107 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -69.94 -43.37 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.915 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.88 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.14 69.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 50.24 111.128 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.36 30.71 13.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.425 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -121.7 163.86 18.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 74.21 110.907 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.495 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -77.23 160.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.15 111.133 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.528 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 9.9 t -114.16 147.75 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.23 111.115 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.9 mp -142.48 96.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.32 111.072 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -95.73 128.31 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.42 111.106 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.7 t70 -101.41 86.75 3.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.851 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 30.8 m-85 -61.0 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.32 111.131 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 71.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.1 -42.51 93.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.902 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.52 11.05 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.087 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.587 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.08 -54.43 54.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 73.22 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 71.23 112.342 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.7 t -100.1 -48.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.12 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.5 m-30 -63.85 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -46.29 -48.67 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.55 111.123 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -62.76 -32.27 73.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.5 m-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.903 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -41.71 -42.45 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 70.4 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 14.6 mtpp -78.68 -42.71 27.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 75.55 110.873 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -54.8 -25.98 31.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 74.24 110.913 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 109' ' ' ILE . 17.4 m-85 -115.45 89.36 21.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 72.41 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 64.15 112.355 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.499 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -94.37 23.29 32.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 53.43 112.487 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -150.87 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 72.21 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 33.3 m -94.67 -35.86 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.159 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 90.3 m-85 57.25 160.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.866 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 160.88 147.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 74.11 110.914 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.513 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.08 132.9 54.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.926 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' HD22 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.141 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 18.0 t0 -110.57 121.7 45.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.879 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 16.4 m -82.96 33.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.92 -19.88 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.607 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 9.0 pt-20 -115.5 -33.05 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 61.45 110.885 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -129.14 23.49 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 64.52 110.948 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.09 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.919 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.4 pt-20 -34.05 -31.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.572 HG12 ' CE2' ' A' ' 17' ' ' PHE . 86.5 t -76.49 -47.41 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.21 111.09 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 54.13 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.66 -18.44 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.917 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.582 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -86.16 -31.56 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.582 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.5 m-85 -96.69 -15.91 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.918 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.891 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.491 ' CE ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.576 0.703 . . . . 71.41 110.849 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.8 40.94 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 74.11 112.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.491 ' HB ' ' CE ' ' A' ' 82' ' ' MET . 0.7 OUTLIER -62.93 116.89 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.02 111.143 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.26 60.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.862 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.487 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -48.31 143.18 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.927 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 40.0 m-85 -120.6 141.69 50.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 70.52 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.557 HD12 ' CE1' ' A' ' 77' ' ' TYR . 11.9 mm -128.5 77.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.05 111.09 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 10.5 ttmt -78.67 122.49 26.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.35 110.848 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.3 t0 83.41 -15.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 44.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 74.32 112.533 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' C ' HG22 ' A' ' 88' ' ' ILE . . . -148.81 -86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 65.44 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -175.48 106.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 75.41 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -88.51 -32.0 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.11 111.132 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.3 m-20 157.73 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 64.01 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -128.35 -171.3 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.896 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.568 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 37.7 t -161.96 -96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 72.11 111.11 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.568 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.77 143.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 75.14 111.141 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.39 49.06 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.513 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.73 16.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 75.03 111.095 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -131.0 113.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.33 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.27 8.12 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.88 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.451 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 11.7 p-10 -124.8 -10.18 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.3 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.33 -20.63 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.866 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.577 HD22 ' CE1' ' A' ' 50' ' ' PHE . 30.4 tp -78.82 -76.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.71 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.75 -20.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.43 110.934 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.3 t30 -79.88 -34.08 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 70.43 110.834 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 87' ' ' PHE . 8.8 m -80.78 -40.53 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 75.04 111.099 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -62.8 -26.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 65.41 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 111' ' ' LYS . 34.8 m -78.77 -30.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.157 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -79.63 -28.27 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.928 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.457 ' CE1' ' CG ' ' A' ' 111' ' ' LYS . 21.0 m-70 -101.01 -47.45 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 71.15 110.815 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.499 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.9 t -94.73 -29.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 70.34 111.147 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.9 -11.38 84.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 74.31 112.487 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 75.45 111.071 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 74.42 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.75 25.56 5.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 50.43 112.483 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -104.08 176.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 72.44 111.155 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 35.6 m -49.95 94.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 61.4 111.13 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 14.2 mm -44.52 170.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.135 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -142.27 81.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.13 111.114 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -54.84 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.92 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.554 ' NE2' ' CG ' ' A' ' 64' ' ' LYS . 10.6 m170 67.56 16.51 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.897 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ASP . 17.0 t30 -152.39 10.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 62.66 -72.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.883 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -33.07 -34.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.899 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -89.13 -39.81 13.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.876 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -53.21 -32.43 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.2 110.884 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -70.83 -34.22 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.87 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -56.26 -29.13 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -94.97 -52.7 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -24.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -94.9 -19.27 20.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.198 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -83.56 23.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.04 110.918 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.613 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.93 -47.0 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.046 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -41.39 96.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.896 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.17 -42.38 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.885 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.077 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 36.38 7.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.5 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 60' ' ' ALA . 8.9 ptpt -135.53 160.6 37.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 72.54 110.916 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -71.65 160.52 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.105 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.613 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 36.3 t -111.5 143.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.607 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.4 mp -141.54 98.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 74.41 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.491 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.74 126.78 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.105 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.8 t70 -99.01 91.89 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.857 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.656 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 32.4 m-85 -64.93 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.865 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.151 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 73.3 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -71.56 -42.63 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.891 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.659 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -104.91 10.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.24 111.12 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.27 -54.21 55.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 75.22 111.105 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.79 4.66 2.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.676 2.251 . . . . 75.12 112.376 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 5.6 t -100.25 -47.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 75.32 111.117 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.0 m-30 -63.27 -71.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -46.32 -48.73 18.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.09 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -62.77 -32.55 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 74.11 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.6 m-30 -71.37 -44.67 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -42.34 -42.69 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 11.4 mtpp -78.82 -40.83 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -53.74 -30.16 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.927 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 109' ' ' ILE . 16.3 m-85 -113.24 88.66 12.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 72.33 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -1.61 8.72 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.728 2.285 . . . . 70.32 112.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.487 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -94.3 19.99 50.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.607 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -148.95 165.07 32.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.23 111.091 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 35.4 m -93.84 -36.83 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 81.4 m-85 58.28 151.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.86 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER 170.24 148.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.935 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' CG ' ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -115.26 132.29 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.91 179.817 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.656 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 8.6 p -118.62 163.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.21 111.102 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' HD22 ' A' ' 70' ' ' LEU . 1.1 t0 -120.6 115.19 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.864 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 36' ' ' THR . 2.5 m -80.48 34.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.41 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 66' ' ' ASP . 12.5 t70 -127.12 -11.12 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 64.1 110.852 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -38.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.7 pt? -124.66 22.42 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.77 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 74.54 110.925 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.7 pt-20 -35.82 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.888 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 71' ' ' LYS . 73.0 t -80.16 -45.34 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.12 111.166 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -65.61 -32.18 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.085 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.27 -23.78 67.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -81.42 -32.19 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.909 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.8 m-85 -96.39 -17.06 20.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.928 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 74.33 110.872 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.526 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.554 0.692 . . . . 75.34 110.932 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.2 Cg_endo -69.79 22.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 72.54 112.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -53.25 121.37 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 72.21 111.135 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.629 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -79.66 42.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.921 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.64 141.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.33 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.6 m-85 -118.85 153.07 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.875 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.1 mm -138.62 75.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 71.43 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.0 ttmt -78.04 122.76 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.914 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.22 -9.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 72.23 110.888 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.9 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 51.44 112.512 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.97 -87.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 75.12 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -176.53 105.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.17 -32.84 17.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.8 m-20 158.4 179.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.896 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 177.95 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.916 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 44.0 t -147.33 -97.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.03 111.139 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.566 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.89 134.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 70.22 111.109 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.22 42.2 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.775 . . . . 74.44 112.458 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.9 12.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.734 0.302 . . . . 73.02 111.053 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.07 116.44 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.875 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.509 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.23 11.88 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.935 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.23 -3.84 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.872 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -112.22 -33.52 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.877 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 85' ' ' PHE . 6.2 tp -62.29 -72.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.899 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -50.1 -33.93 20.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -64.7 -27.41 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.588 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.8 m -86.7 -47.01 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 75.41 111.162 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.588 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.0 mp -55.53 -28.1 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.128 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 111' ' ' LYS . 15.8 m -78.46 -27.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -82.78 -27.7 30.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.923 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.56 ' CD2' HG21 ' A' ' 108' ' ' THR . 21.9 m-70 -101.46 -46.8 4.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.24 110.839 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.487 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.8 t -95.29 -30.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 71.41 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.24 -10.89 76.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 63.14 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 62.1 111.106 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.92 0.39 . . . . 74.32 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.09 28.87 4.01 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 74.13 112.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -107.73 175.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 72.22 111.115 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 25.5 m -51.76 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 64.54 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 20.3 mm -45.01 168.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.098 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.463 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -144.24 74.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 63.33 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 14.6 p -68.86 165.74 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 61.3 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 80.1 m80 -163.61 35.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.11 110.843 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' CD ' ' A' ' 16' ' ' GLU . 2.8 p-10 -171.14 20.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.45 110.895 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 65.17 -68.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.894 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -29.63 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.901 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.22 -43.51 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.848 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -49.43 -37.46 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 71.11 110.911 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.8 m-20 -66.41 -37.2 84.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.868 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.64 -21.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 64.53 111.111 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 -52.59 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 75.5 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.12 -18.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 64.42 110.878 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.49 -21.97 15.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.16 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -84.39 27.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.893 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.59 -46.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.071 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -40.19 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.844 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -87.98 -40.96 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.916 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.112 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.41 36.94 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 72.12 112.502 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' CD ' HG11 ' A' ' 61' ' ' VAL . 7.5 ptpt -136.79 155.55 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 75.21 110.884 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -67.6 163.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.108 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 25.2 t -114.84 144.36 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.127 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.6 mp -142.0 96.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.096 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.509 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.3 OUTLIER -95.31 131.24 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.113 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -107.2 92.8 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.856 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 45.7 m-85 -62.59 -164.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 63.23 110.832 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.14 111.192 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 72.32 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -67.5 -42.3 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.651 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.2 tt -104.11 10.6 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.2 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.585 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.35 -54.65 52.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 73.24 111.092 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.82 4.31 2.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 74.4 112.38 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.585 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.4 t -98.83 -47.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.094 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 14.3 m-30 -65.06 -71.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -44.85 -47.53 11.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 70.12 111.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.7 pt-20 -63.9 -33.64 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.855 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.8 m-30 -68.44 -47.91 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.959 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -40.27 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 72.22 111.096 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 13.1 mtpp -76.36 -40.43 51.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.932 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -58.82 -24.96 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.944 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 109' ' ' ILE . 18.4 m-85 -116.72 87.61 22.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 74.22 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -6.24 18.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 72.4 112.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -89.57 19.47 40.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 60.11 112.536 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.586 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -148.87 168.45 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 63.3 111.111 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG11 ' CD ' ' A' ' 29' ' ' LYS . 35.3 m -101.13 -33.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.11 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 88.6 m-85 56.15 160.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 160.79 147.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.921 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.499 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.15 134.71 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.863 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -125.9 165.18 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.15 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.468 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 28.0 t0 -110.64 119.86 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.477 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 15.3 m -83.02 33.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.44 111.102 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.45 -20.21 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.902 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 12' ' ' HIS . 14.0 pt-20 -115.45 -36.24 4.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -125.3 24.46 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.02 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.0 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.895 179.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.8 pt-20 -35.74 -28.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' LYS . 92.0 t -80.44 -45.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.31 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -62.49 -24.83 67.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.11 111.086 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.6 59.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.892 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -63.47 -35.79 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -95.85 -7.91 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.927 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.41 110.882 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.519 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.579 0.704 . . . . 75.24 110.867 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.7 Cg_endo -69.83 21.75 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 74.43 112.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -37.35 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 75.23 111.133 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -82.08 39.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.869 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.68 142.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 75.1 110.911 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 23.4 m-85 -120.81 149.18 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.25 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 77' ' ' TYR . 7.3 mm -133.85 75.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 73.13 111.099 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -76.57 122.94 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.881 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.0 t0 81.9 -11.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.12 41.24 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 74.15 112.509 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.01 -85.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.308 . . . . 61.41 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -177.8 108.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.899 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -91.29 -31.03 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.073 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.14 179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 174.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.896 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.583 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 56.1 t -149.76 -100.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.139 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 97' ' ' VAL . 1.2 t 166.02 134.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.21 111.115 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.56 45.29 1.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 75.12 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.408 ' CB ' HH21 ' A' ' 101' ' ' ARG . . . -147.61 0.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 71.41 111.102 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.408 HH21 ' CB ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -101.83 104.4 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.893 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.449 ' CB ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -81.98 2.15 32.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.878 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.47 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 2.9 p30 -129.54 -10.02 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.858 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -104.33 -25.0 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.589 HD23 ' CE1' ' A' ' 50' ' ' PHE . 34.0 tp -70.46 -74.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.936 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.552 ' CD ' ' N ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.61 -20.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.921 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -80.88 -33.29 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.898 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 87' ' ' PHE . 2.8 m -80.45 -36.42 33.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 75.14 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.568 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -65.99 -26.35 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.1 111.188 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 26.9 m -77.61 -31.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 72.05 111.103 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.487 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -78.36 -28.22 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.866 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.474 ' CD2' HG21 ' A' ' 108' ' ' THR . 20.7 m-70 -100.78 -47.95 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.512 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 5.0 t -94.46 -31.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 75.24 111.103 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -77.09 -22.54 70.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 72.13 112.471 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 63.22 111.084 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 74.25 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.3 22.82 7.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 72.03 112.472 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -101.83 -178.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 72.54 111.123 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 32.0 m -51.43 94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 54.12 111.095 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' LYS . 39.8 mm -42.23 166.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.093 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.457 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -135.1 57.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 62.03 111.14 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.538 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -45.03 162.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.945 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -170.11 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 75.43 110.844 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.545 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 179.76 27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.911 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.84 -69.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.919 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -30.79 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.877 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.2 mt-10 -81.98 -42.5 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.889 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.29 -41.9 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.51 110.853 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.22 -43.17 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.914 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.15 -25.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.1 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -104.95 -51.52 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.917 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.32 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.6 -23.85 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 70.32 111.175 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -83.74 25.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -128.61 -41.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.34 111.102 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.58 -46.15 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -46.35 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.858 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.1 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 63.12 111.095 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 36.04 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 74.15 112.514 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.13 158.99 31.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 73.12 110.879 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -70.7 162.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.137 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.567 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 68.2 t -119.35 149.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -143.1 97.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.51 111.144 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.6 OUTLIER -98.3 128.4 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.105 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -99.67 86.61 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.867 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.458 ' CD1' HG12 ' A' ' 67' ' ' VAL . 24.2 m-85 -60.21 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.896 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.02 111.173 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.79 0.329 . . . . 71.1 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -78.56 -41.25 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.653 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.91 9.95 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 75.45 111.118 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.35 -55.17 45.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 75.04 111.123 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.76 5.19 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 75.41 112.388 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.566 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 5.0 t -100.08 -47.94 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.653 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.6 m-30 -64.22 -71.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -45.39 -49.24 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 62.15 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -61.54 -33.91 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.909 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.1 m-30 -69.17 -45.04 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.903 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -43.15 -43.13 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.053 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 9.3 mtpp -80.04 -43.49 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 75.55 110.904 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -53.53 -29.52 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.912 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 109' ' ' ILE . 15.2 m-85 -111.76 89.2 10.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 74.11 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.88 17.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 74.45 112.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.521 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -90.81 17.89 52.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 72.13 112.48 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.589 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -146.36 167.78 22.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 72.22 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.476 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 16.9 m -101.29 -34.09 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 75.35 111.115 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 87.8 m-85 55.88 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.53 110.888 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER 164.36 150.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.887 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.524 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -126.09 128.26 47.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.839 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.07 167.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.141 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.438 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 30.2 t0 -113.0 123.55 50.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.855 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 36' ' ' THR . 10.3 m -82.03 32.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -124.34 -20.18 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.35 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.94 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.54 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.7 pt? -130.03 24.43 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -33.46 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.889 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.8 pt-20 -38.03 -26.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' LYS . 59.5 t -82.63 -42.23 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.52 111.102 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -71.36 -24.07 62.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.158 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.85 -20.05 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.886 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -86.23 -31.59 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.909 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -94.12 -15.78 24.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 61.24 110.916 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.475 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.564 0.697 . . . . 74.14 110.875 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.81 38.5 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.73 2.286 . . . . 73.05 112.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.473 ' N ' ' HG2' ' A' ' 82' ' ' MET . 0.7 OUTLIER -61.97 120.25 10.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.11 111.176 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.649 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -79.49 53.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 72.21 110.856 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -40.98 139.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.925 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.649 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 35.1 m-85 -116.94 146.18 43.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.3 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.525 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.5 mm -131.32 75.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 71.22 111.117 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 12.2 ttmt -77.32 122.73 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.923 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t0 81.84 -9.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.87 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.97 43.39 2.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 52.42 112.483 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.14 -86.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 70.13 111.093 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -175.41 108.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -92.83 -31.89 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.01 111.093 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.3 m-20 157.04 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.887 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -125.81 -172.2 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.888 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.574 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 38.4 t -160.12 -95.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.144 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.22 141.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 64.24 111.091 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.67 45.02 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 75.13 112.453 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.431 ' C ' ' HD2' ' A' ' 101' ' ' ARG . . . -150.24 11.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 65.14 111.112 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 5.7 mpt_? -128.31 114.44 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.887 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.31 7.81 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.909 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 7.4 t70 -121.85 -9.02 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.919 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -23.19 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.845 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 50' ' ' PHE . 36.1 tp -74.7 -77.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.71 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -46.75 -20.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.941 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 3.6 t30 -78.64 -35.57 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.904 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 8.0 m -80.11 -42.01 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 71.13 111.164 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.573 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -60.96 -26.73 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.136 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 111' ' ' LYS . 34.1 m -78.92 -29.53 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.51 111.092 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -80.86 -28.76 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 75.33 110.882 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.518 ' CD2' HG23 ' A' ' 108' ' ' THR . 19.9 m-70 -100.34 -46.75 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 75.13 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.521 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.7 t -95.29 -31.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.119 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.51 -15.12 81.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 63.05 112.48 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 72.31 111.052 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.878 0.371 . . . . 71.22 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.53 26.39 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 43.3 112.503 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -104.87 177.6 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 70.34 111.159 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' N ' ' CB ' ' A' ' 54' ' ' ALA . 31.8 m -49.61 97.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.119 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 13.2 mm -49.46 168.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.475 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -144.06 93.22 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.108 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HB2' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -62.59 -179.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 71.42 110.891 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 179.59 28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.86 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 173.03 29.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.868 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.16 -70.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.932 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.72 -36.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.89 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -82.33 -43.24 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.907 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -54.5 -49.47 70.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.42 110.887 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.525 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -58.87 -33.32 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.86 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -47.66 -18.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.078 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -107.11 -54.07 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 54.51 110.873 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.457 ' HE3' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.84 -21.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -88.5 -30.74 19.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 72.04 111.109 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.93 24.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.897 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.83 -43.36 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.095 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -71.75 -39.17 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.938 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.13 -39.05 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.909 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.87 -30.2 70.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.55 111.093 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.42 38.15 7.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 73.01 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 8.8 ptpt -134.77 155.14 51.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 73.34 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -65.48 161.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.596 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 40.9 t -113.66 142.93 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.43 111.158 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 2.2 mp -141.17 96.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.41 111.136 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.06 127.71 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.31 111.099 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.614 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 12.4 t70 -101.57 88.18 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.11 110.873 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.532 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 34.1 m-85 -61.3 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.151 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.896 0.379 . . . . 74.42 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -75.54 -46.37 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 75.51 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 1.2 tt -92.33 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.62 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -47.95 -52.11 42.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 65.1 111.118 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.4 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 75.52 112.351 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.649 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -97.68 -41.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 74.55 111.103 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 19.2 m-30 -64.83 -73.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.03 110.88 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.4 -51.72 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.21 111.113 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 5.8 pt-20 -55.01 -39.23 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 13.0 m-30 -66.21 -48.93 69.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.934 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.54 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -40.38 -44.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.109 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 9.3 mtpp -81.83 -44.81 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -29.26 58.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.932 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.95 85.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 75.41 110.858 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 72.31 112.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' C ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 15.08 62.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 71.21 112.465 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.618 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -146.0 168.91 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 71.11 111.106 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 15.8 m -98.59 -34.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.153 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.54 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 76.2 m-85 56.35 159.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 159.07 148.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.891 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.33 50.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.867 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.479 ' CG2' ' CG2' ' A' ' 33' ' ' ILE . 75.0 t -120.14 152.81 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.14 111.129 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 26.0 t0 -111.38 112.12 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 75.54 110.853 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 35' ' ' PHE . 2.6 m -79.94 32.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -126.01 -12.73 6.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.836 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 12' ' ' HIS . 13.5 pt-20 -126.25 -31.48 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.876 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.8 pt? -131.57 24.0 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.23 -35.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.903 179.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -34.84 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.3 t -77.83 -47.58 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.184 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.091 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.21 -26.76 66.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -78.9 -33.43 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.904 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.4 m-85 -93.86 -17.81 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.945 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.45 110.869 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.547 0.689 . . . . 63.41 110.882 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.78 19.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 74.14 112.352 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -44.19 126.21 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 75.13 111.131 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.642 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -86.6 46.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.841 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -32.14 145.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 62.01 110.951 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 30.9 m-85 -124.39 139.42 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.828 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.572 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 9.8 mm -127.12 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 73.32 111.109 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 8.5 ttmt -75.28 123.8 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.14 110.9 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.9 t70 81.35 -15.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.61 42.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 64.25 112.461 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -144.35 -87.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 75.1 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.68 103.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.875 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.13 -34.72 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.1 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER 159.27 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.901 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 171.56 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 42.9 t -141.39 -97.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.13 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.97 128.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.143 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.39 46.09 2.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 74.12 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.41 16.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 61.43 111.065 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.425 ' HD3' ' CG1' ' A' ' 98' ' ' VAL . 9.5 mpt_? -126.19 115.02 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.51 110.861 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -88.58 7.75 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.08 -10.47 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.886 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.57 -36.2 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 71.03 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.592 HD13 ' CD2' ' A' ' 85' ' ' PHE . 11.0 tp -66.04 -77.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.732 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -48.43 -18.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.888 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.486 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.8 m-80 -83.05 -32.37 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.84 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.568 HG23 ' CD2' ' A' ' 112' ' ' HIS . 19.3 m -80.04 -41.42 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.23 111.128 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.586 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.1 mp -57.73 -28.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 26.0 m -77.51 -26.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.189 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.471 ' N ' HG23 ' A' ' 110' ' ' VAL . 3.1 ptmt -84.12 -28.16 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.21 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 108' ' ' THR . 20.2 m-70 -100.83 -47.79 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.854 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.455 HG13 ' C ' ' A' ' 59' ' ' GLY . 11.9 t -94.27 -30.66 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 75.21 111.161 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.77 -10.72 86.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 75.1 112.502 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.43 111.103 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.892 0.377 . . . . 63.24 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.62 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 63.45 112.492 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -105.91 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 73.33 111.14 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 34.6 m -47.6 93.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 62.24 111.157 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 14.1 mm -43.05 167.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.131 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.24 80.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.113 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -64.65 159.27 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.895 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.6 t60 -165.43 37.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.858 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.579 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 176.94 25.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.866 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.72 -70.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.871 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.45 -37.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 72.42 110.854 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.03 -43.68 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.87 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.73 -40.15 62.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.885 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -66.28 -45.37 80.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' ASP . . . -36.86 -27.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.52 111.086 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' ASP . 16.5 mp0 -102.65 -44.51 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.914 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.599 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.98 -35.16 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.857 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.97 -19.49 25.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.129 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.21 23.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.02 110.887 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.603 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.51 -44.62 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 73.4 111.123 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -67.55 -45.62 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.912 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -42.29 61.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.862 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.75 36.21 12.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 53.21 112.533 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -129.54 157.41 42.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 63.05 110.88 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -68.99 163.04 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.14 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.603 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 24.5 t -116.95 147.84 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.04 111.142 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.581 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -142.73 97.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.2 111.128 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -96.56 125.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.54 111.128 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.93 89.97 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.873 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 49.1 m-85 -60.24 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.11 111.18 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.343 . . . . 75.13 110.937 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.45 -42.88 74.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.871 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.664 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -102.38 10.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.104 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.592 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.65 -54.23 55.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 65.21 111.107 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.74 5.76 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 71.21 112.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.536 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.1 t -101.53 -46.92 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.118 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.664 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.3 m-30 -64.83 -70.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.923 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -47.21 -50.21 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.058 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -58.85 -34.94 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 65.32 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.1 m-30 -69.52 -48.77 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 75.24 110.943 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.481 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -38.99 -45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 73.54 111.121 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -40.52 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.865 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -57.72 -28.24 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 74.23 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 109' ' ' ILE . 19.3 m-85 -113.08 88.14 11.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 74.1 110.834 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.56 26.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 73.4 112.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.493 ' C ' HG11 ' A' ' 113' ' ' VAL . . . -87.06 18.7 34.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 52.31 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.581 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -147.06 163.67 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 74.04 111.082 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 24.7 m -94.02 -35.91 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 64.4 111.131 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 83.1 m-85 57.11 158.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.863 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 160.01 147.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.927 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.1 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.916 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 66' ' ' ASP . 77.6 t -117.69 158.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.482 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 19.6 t70 -114.32 104.24 11.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.859 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.494 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 13.4 m -76.94 37.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -127.61 -22.29 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.21 110.859 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -121.08 -30.17 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 62.31 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.1 pt? -126.95 22.66 6.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.886 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.77 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.887 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.4 pt-20 -35.11 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.91 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' LYS . 65.0 t -78.6 -49.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.3 111.165 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -63.48 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.22 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -83.57 -33.84 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.898 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.618 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.3 m-85 -93.6 -15.49 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 70.3 110.904 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.89 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.485 ' CE ' ' OG1' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.543 0.687 . . . . 72.01 110.92 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.79 37.97 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 75.15 112.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -62.27 121.29 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.23 111.117 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.1 m-85 -80.36 40.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.893 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -31.81 144.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 74.12 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 32.4 m-85 -122.88 143.41 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.854 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.618 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 12.7 mm -129.51 74.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.14 111.137 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 7.8 ttmm -77.62 122.97 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.91 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.4 t0 83.25 -7.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.809 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.44 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 61.15 112.471 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.25 -86.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 74.04 111.098 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -177.99 104.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.43 -32.91 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.33 111.106 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 160.08 179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.4 172.05 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 55.2 t -145.2 -100.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.4 111.123 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.564 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 167.38 145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 72.51 111.134 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.68 49.87 2.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 52.11 112.473 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -154.11 15.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 63.34 111.107 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -128.71 114.86 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 13.17 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.55 110.909 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.9 -3.45 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 64.25 110.875 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.04 -32.07 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.863 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 53' ' ' TYR . 8.7 tp -64.66 -74.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 64.42 110.922 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.83 -30.66 6.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.95 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.405 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.4 t30 -69.75 -31.48 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.87 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 23.4 m -82.66 -43.44 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 63.55 111.144 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -60.11 -26.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.52 111.1 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 111' ' ' LYS . 33.2 m -78.76 -29.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.143 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -80.69 -26.99 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.854 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 111' ' ' LYS . 20.6 m-70 -103.12 -47.57 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 74.14 110.865 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.493 HG11 ' C ' ' A' ' 59' ' ' GLY . 2.8 t -93.99 -29.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.155 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.37 -14.41 81.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 70.44 112.478 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 73.31 111.113 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 71.21 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.24 27.31 3.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 52.23 112.454 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' ILE . 1.3 m -109.51 178.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 62.42 111.168 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 15.8 m -44.15 92.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.5 111.116 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' VAL . 46.2 mm -38.16 158.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.51 111.15 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 11' ' ' CYS . . . -120.6 73.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.073 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 38.3 t -47.62 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.911 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 7.4 m80 63.72 27.15 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.864 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ASP . 19.2 t30 -160.97 11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.899 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.582 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 59.71 -73.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.843 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -30.5 -37.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.852 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -80.77 -43.1 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.12 110.863 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.91 -42.26 47.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.89 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.6 m-20 -68.15 -35.91 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.79 67.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 73.41 111.072 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.41 -50.6 6.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.901 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.424 ' N ' ' HE1' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.04 -26.7 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.01 110.856 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -91.81 -21.42 20.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 61.23 111.133 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -83.16 20.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.33 -44.91 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 72.0 111.123 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -65.33 -42.26 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.05 110.881 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -85.88 -41.26 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.912 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.69 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.113 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.98 35.57 8.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 62.53 112.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 9.3 ptpt -134.65 161.14 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.43 110.895 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -72.54 161.84 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.129 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.59 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.5 t -112.55 144.67 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.31 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.59 ' CG2' ' CD2' ' A' ' 85' ' ' PHE . 3.6 mp -142.18 97.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.499 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.97 122.55 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.123 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.672 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -97.88 93.52 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.891 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 36.6 m-85 -63.89 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.862 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 74.31 111.104 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.85 0.357 . . . . 70.24 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.33 -42.49 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 3.1 tt -102.98 10.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 64.45 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.583 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.84 -54.66 51.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 71.1 111.111 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 75.53 112.362 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.9 t -101.93 -47.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.105 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.8 m-30 -63.06 -69.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.42 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -49.04 -47.78 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 73.31 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -63.61 -32.0 73.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 65.05 110.929 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.4 m-30 -72.7 -44.24 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.943 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -42.47 -42.68 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 74.54 111.136 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 16.0 mtpp -78.17 -41.57 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.88 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -54.89 -28.31 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.921 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 109' ' ' ILE . 13.6 m-85 -113.22 87.92 11.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.742 . . . . 73.44 110.899 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.95 13.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.647 2.231 . . . . 65.33 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -92.32 20.09 45.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.462 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.583 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.23 164.37 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 42.32 111.09 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.444 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 28.8 m -93.42 -37.18 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 81.6 m-85 58.74 145.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.43 110.891 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 176.98 146.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.94 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.508 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.07 126.29 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.89 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' CG1' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.35 173.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.14 111.145 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.528 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 28.6 t70 -118.88 121.05 39.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.93 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 17.9 m -82.76 30.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 72.25 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.94 -22.99 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 64.33 110.912 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 12' ' ' HIS . 12.4 pt-20 -115.12 -37.94 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 64.2 110.857 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -120.48 22.87 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.901 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.28 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.921 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pt-20 -35.55 -28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.909 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 17' ' ' PHE . 70.0 t -79.69 -46.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 72.44 111.079 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -65.55 -29.41 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.52 111.144 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.67 -21.82 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.75 -37.53 35.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 75.54 110.902 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.658 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.4 m-85 -91.73 -14.91 29.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.25 110.905 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.509 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.585 0.707 . . . . 74.32 110.843 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.74 18.91 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 73.51 112.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -43.75 127.82 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.149 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.672 ' CE1' ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.14 55.75 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.869 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -45.44 142.74 2.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.916 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 37.8 m-85 -120.52 145.93 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.863 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.658 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 10.5 mm -132.0 75.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.33 111.1 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.2 ttpp -76.63 122.36 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.899 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.32 -18.07 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.54 43.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 72.25 112.522 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -146.97 -87.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 63.12 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -174.5 105.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -87.79 -31.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.52 111.107 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 3.2 m-20 157.23 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.842 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.484 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.17 -169.33 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 70.34 110.918 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.594 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 35.7 t -161.37 -96.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.177 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.594 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 156.46 124.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 72.01 111.075 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.19 43.72 2.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 74.24 112.503 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.14 12.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 63.44 111.156 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -126.07 114.54 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.914 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.41 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 3.3 tmtt? -84.64 7.61 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.891 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 25.7 t0 -124.87 -8.92 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.881 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.22 -21.49 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 75.3 110.875 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 50' ' ' PHE . 23.5 tp -74.79 -75.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.91 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.674 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -48.29 -24.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.906 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.4 m-80 -74.0 -35.57 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' CZ ' ' A' ' 87' ' ' PHE . 8.0 m -79.72 -43.42 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.589 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -59.4 -27.14 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 71.23 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 111' ' ' LYS . 30.3 m -78.39 -28.66 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 70.2 111.079 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -82.0 -29.19 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.882 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.554 ' CD2' HG21 ' A' ' 108' ' ' THR . 22.8 m-70 -99.68 -47.62 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.831 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.512 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.5 t -94.48 -30.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.129 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.46 -11.35 85.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 74.15 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 71.02 111.093 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.935 0.398 . . . . 54.11 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.68 17.07 9.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.14 112.521 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -102.38 175.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 73.33 111.118 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 51' ' ' ALA . 34.1 m -50.24 94.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 37.8 mm -42.41 166.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.14 111.088 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -135.4 74.69 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 63.43 111.121 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -64.47 161.5 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 73.15 110.929 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 77.7 m-70 -167.23 34.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.856 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.497 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.09 25.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.862 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 65.35 -68.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.01 110.925 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -28.76 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.82 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.4 mt-10 -80.61 -43.53 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 71.12 110.883 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.35 -42.08 61.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.851 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.636 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.56 -46.64 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.55 110.909 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.57 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.099 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -100.41 -53.28 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.92 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.23 -19.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.893 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.443 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.46 -21.85 14.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.119 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.2 mttt -84.22 26.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.12 110.855 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -132.42 -42.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 74.32 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.87 -39.75 87.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -40.82 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.879 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.38 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.13 111.102 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.07 35.02 10.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 71.4 112.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -125.8 169.8 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.14 110.896 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.515 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -81.79 161.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.05 111.098 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 38.6 t -116.25 146.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 63.42 111.146 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.681 ' CG2' ' CD2' ' A' ' 85' ' ' PHE . 3.8 mp -142.27 97.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.04 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.493 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -97.26 133.03 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.132 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -109.18 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 62.35 110.859 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 36' ' ' THR . 59.5 m-85 -69.04 -161.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 71.33 110.877 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.171 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 72.41 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -79.58 -40.9 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.659 ' CG2' ' CE2' ' A' ' 50' ' ' PHE . 5.1 tt -103.42 9.4 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 74.15 111.12 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.575 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.62 -55.19 45.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 61.54 111.142 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 72.41 112.353 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 2.6 t -100.5 -48.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 75.14 111.167 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.659 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 23.7 m-85 -62.64 -71.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.03 110.832 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.477 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -46.47 -50.9 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.1 pt-20 -60.37 -33.87 73.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.926 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.3 m-30 -70.36 -43.59 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.939 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -44.95 -43.02 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 73.21 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 12.0 mtpp -78.85 -42.76 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.902 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -54.9 -28.29 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 73.22 110.917 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.1 m-85 -113.06 88.69 12.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.652 0.739 . . . . 73.1 110.841 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -4.39 13.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 74.03 112.385 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.525 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.71 20.4 42.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 73.13 112.517 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.602 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.42 169.1 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 73.32 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 34.6 m -102.68 -34.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.35 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 85.5 m-85 56.12 161.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.02 110.85 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 161.83 147.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.928 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.516 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.22 133.95 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.882 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -127.98 168.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.107 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 11.6 t0 -114.01 120.61 41.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.402 ' CG1' ' HB1' ' A' ' 74' ' ' ALA . 11.8 m -79.2 38.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.54 111.11 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 66' ' ' ASP . 24.0 t0 -128.71 -17.83 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -120.11 -32.23 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.903 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -126.19 25.05 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.41 110.952 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -34.44 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.891 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.6 pt-20 -43.04 -22.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 17' ' ' PHE . 46.1 t -93.53 -29.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 63.2 111.085 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -83.17 -7.81 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 64.35 111.098 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -104.23 -21.0 13.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.64 ' CD ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -82.81 -23.97 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.874 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' A' ' 76' ' ' LYS . 17.0 m-85 -101.45 -23.09 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.885 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 5.3 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.559 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.624 0.725 . . . . 75.22 110.859 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 82' ' ' MET . 54.0 Cg_endo -69.73 40.03 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 72.5 112.385 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.48 ' OG1' ' SD ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -54.56 126.85 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 72.34 111.112 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -83.19 39.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.916 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.35 143.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.884 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.2 m-85 -121.81 148.28 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.87 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.563 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 7.7 mm -131.77 72.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 5.5 ttmm -75.16 122.97 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.6 t70 82.87 -10.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.831 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.74 41.61 2.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 73.51 112.482 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.45 -85.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 75.32 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -176.09 111.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.928 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -96.11 -29.96 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 44.05 111.106 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 158.72 179.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.849 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 170.16 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.32 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 54.0 t -141.76 -100.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 75.13 111.132 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 165.2 138.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.197 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.51 48.6 4.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 62.22 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.87 17.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 74.35 111.101 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -128.48 100.38 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.14 110.867 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -75.7 4.46 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 71.15 110.876 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -121.83 -7.29 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.854 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.2 -15.79 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 11.4 tp -76.09 -76.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.69 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -49.11 -29.77 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.921 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.21 -32.54 73.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.901 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.563 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 m -83.72 -43.16 15.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 71.43 111.171 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -59.83 -26.95 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 74.52 111.165 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 111' ' ' LYS . 34.9 m -78.13 -31.26 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 71.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.495 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -78.77 -29.59 45.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.913 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.499 ' CD2' HG21 ' A' ' 108' ' ' THR . 22.2 m-70 -99.59 -47.78 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.525 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.8 t -94.25 -30.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 70.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.8 -12.36 83.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 74.2 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 71.21 111.125 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.893 0.378 . . . . 54.14 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.65 16.52 14.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 63.54 112.53 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -96.41 179.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 75.43 111.135 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 26.8 m -48.79 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 43.7 mm -41.13 164.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.35 111.179 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -134.3 87.03 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 70.22 111.092 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.506 ' HB3' ' N ' ' A' ' 17' ' ' PHE . 60.2 m -103.02 118.6 37.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.874 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -125.84 43.98 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.03 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 8.0 t30 -160.36 18.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.922 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 63.24 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.91 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -34.43 -34.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.887 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -88.65 -37.87 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 73.45 110.859 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.05 -34.91 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.88 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.511 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -66.78 -32.3 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 73.41 110.885 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -18.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.43 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' CD ' HG13 ' A' ' 9' ' ' ILE . 2.3 mp0 -109.13 -54.53 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.498 ' CE ' HG13 ' A' ' 31' ' ' VAL . 2.5 tpp -48.76 -20.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.457 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -95.51 -27.22 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.21 111.115 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -74.46 9.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -108.44 -44.14 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.113 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.883 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.06 -44.21 48.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.914 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.21 -22.12 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.04 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.71 37.24 20.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 44.54 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -122.31 164.31 18.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 74.11 110.928 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.1 t -75.78 159.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.34 111.16 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.622 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 70.8 t -118.7 145.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.33 111.131 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.527 HG21 ' CD1' ' A' ' 85' ' ' PHE . 4.3 mp -135.86 99.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.52 111.145 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -97.55 120.55 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 72.42 111.126 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -92.46 90.17 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 71.35 110.877 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.55 ' CD1' ' CG1' ' A' ' 67' ' ' VAL . 18.8 m-85 -64.71 -167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 71.24 111.107 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 74.01 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.23 -43.43 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.4 tt -103.43 10.04 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 74.54 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.581 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.12 -54.66 50.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 74.25 111.082 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 6.39 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 75.54 112.355 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.7 t -102.54 -48.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 72.21 111.117 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 14.0 m-30 -61.91 -69.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -49.53 -49.82 44.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.114 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -60.98 -29.24 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.847 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.6 m-30 -75.61 -45.9 34.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.898 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -40.62 -40.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 61.42 111.109 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 12.2 mtpp -80.51 -43.65 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.908 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -49.4 -33.89 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE2' HG22 ' A' ' 109' ' ' ILE . 16.0 m-85 -108.49 90.36 7.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 54.34 110.873 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.72 8.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.659 2.239 . . . . 74.12 112.342 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.544 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -95.6 19.88 52.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 71.33 112.498 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HB1' ' CD1' ' A' ' 32' ' ' ILE . . . -147.6 163.02 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 73.4 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 4.3 m -97.66 -29.07 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.53 111.131 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 83.5 m-85 53.55 167.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.922 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 1.2 tp 159.3 152.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -132.8 126.77 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.893 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -123.71 -176.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.01 111.115 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 4.4 t0 -126.61 124.39 39.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.868 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 14.7 m -84.2 31.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.133 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -123.15 -15.78 7.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.862 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -120.51 -34.8 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -127.58 23.96 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.931 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.75 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.932 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.7 pt-20 -36.54 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 46.8 t -81.15 -43.83 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 65.42 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -70.52 -27.65 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 70.2 111.06 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -24.85 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 73.41 110.912 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.525 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.61 -32.99 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.923 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.8 m-85 -92.83 -15.36 26.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.969 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.876 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.485 ' HG2' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.557 0.694 . . . . 75.11 110.887 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.79 37.64 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 51.45 112.361 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.485 ' N ' ' HG2' ' A' ' 82' ' ' MET . 0.6 OUTLIER -61.74 121.33 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.115 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -77.93 44.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.925 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -33.42 141.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.15 110.906 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 24.6 m-85 -119.8 151.11 39.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.587 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.3 mm -137.76 77.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 5.0 ttpt -77.38 121.76 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.909 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.1 t70 83.08 -16.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.891 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.95 41.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 63.13 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.15 -86.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 73.55 111.085 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -178.5 106.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.42 110.911 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.21 -31.74 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.23 111.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.6 m-20 157.51 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 70.21 110.894 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.51 172.54 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 62.04 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 37.7 t -142.36 -96.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.143 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.566 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.19 143.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.115 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.28 48.73 2.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 72.14 112.479 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.44 ' C ' ' HD2' ' A' ' 101' ' ' ARG . . . -155.97 15.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 75.44 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 1.7 mpt_? -127.57 115.78 19.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.79 11.69 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.871 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.12 -1.81 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.53 110.885 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -115.12 -34.48 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 50' ' ' PHE . 12.7 tp -60.05 -72.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 70.23 110.943 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -52.53 -18.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.912 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.416 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.9 OUTLIER -78.06 -34.19 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.862 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 87' ' ' PHE . 1.8 m -82.54 -37.15 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.51 111.096 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.2 mp -63.71 -23.4 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 62.43 111.17 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.496 HG21 ' N ' ' A' ' 111' ' ' LYS . 24.3 m -82.06 -26.66 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 65.13 111.106 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -83.77 -28.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.889 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 108' ' ' THR . 19.7 m-70 -100.66 -47.12 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 73.04 110.882 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.544 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.3 t -94.56 -30.94 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.94 -19.03 78.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 71.52 112.538 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 63.51 111.089 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.878 0.371 . . . . 72.12 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.89 28.09 3.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 74.15 112.497 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -107.45 176.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 74.44 111.118 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 34.5 m -48.2 94.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 72.13 111.142 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 17.9 mm -42.58 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 71.43 111.129 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -146.76 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.2 111.134 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.492 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 19.7 p -71.49 -173.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.913 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 2.5 p-80 -179.84 29.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 75.55 110.887 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.97 19.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.867 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 68.46 -66.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.91 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -27.39 -42.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 65.43 110.862 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -81.84 -44.71 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.889 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -49.09 -43.24 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.879 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.523 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.41 -33.61 76.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.877 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.34 -28.18 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 75.41 111.109 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 -53.01 4.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.943 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.477 ' HE3' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.28 -34.35 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.849 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -83.72 -24.72 31.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.13 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -82.18 26.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -127.64 -51.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 64.43 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -47.11 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.88 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.7 -41.9 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 74.25 110.89 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.15 -28.17 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.132 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.56 31.06 11.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -124.17 170.07 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 75.33 110.912 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -84.14 160.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.04 111.1 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 HG21 ' CB ' ' A' ' 24' ' ' ALA . 49.0 t -112.11 145.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.182 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.5 mp -141.73 98.78 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.41 111.174 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.509 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.8 OUTLIER -100.28 128.63 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.104 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -104.24 92.07 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 63.34 110.899 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 37.0 m-85 -62.91 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.876 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 73.42 111.184 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.859 0.361 . . . . 73.32 110.911 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.12 -46.17 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.15 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.9 tt -97.39 6.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.084 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.564 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -54.21 -55.08 40.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 75.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -1.47 8.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 70.01 112.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' CE2' ' A' ' 53' ' ' TYR . 2.8 t -93.5 -43.28 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.096 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.3 m-30 -67.2 -70.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -45.41 -48.58 13.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 60.24 111.106 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 48' ' ' PRO . 8.0 pt-20 -61.19 -35.3 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.859 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 49' ' ' VAL . 9.1 m-30 -69.56 -44.88 69.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.894 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -42.33 -44.83 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.113 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 14.2 mtpp -76.97 -41.55 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -56.99 -24.36 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.875 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.5 m-85 -117.08 88.99 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 74.1 110.875 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.87 29.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 74.43 112.347 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -86.31 21.77 15.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 73.23 112.516 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.605 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -150.16 167.63 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 72.34 111.04 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.491 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 6.2 m -100.06 -36.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.43 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 90.8 m-85 57.55 153.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.869 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 168.73 148.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.946 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.54 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.88 132.35 54.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.911 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -128.52 158.63 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 75.3 111.133 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB3' ' CD ' ' A' ' 69' ' ' GLU . 15.9 t0 -105.41 123.91 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.884 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 35' ' ' PHE . 15.3 m -82.87 35.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 73.11 111.15 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -125.95 -21.7 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.882 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 1.5 pt-20 -113.73 -36.13 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.887 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt? -126.59 22.94 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.29 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 72.51 110.893 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pt-20 -35.5 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.908 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 17' ' ' PHE . 81.0 t -79.29 -46.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.55 111.103 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -68.0 -24.33 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.39 -24.3 60.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.884 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -81.42 -33.62 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.86 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.535 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.8 m-85 -91.9 -14.72 29.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 73.02 110.946 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 71.03 110.885 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.526 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.573 0.701 . . . . 74.01 110.858 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.7 Cg_endo -69.75 22.26 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 53.32 112.368 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -43.53 127.71 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.077 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -88.7 45.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -31.26 146.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.919 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 33.2 m-85 -126.0 139.95 53.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.509 ' CG1' HD13 ' A' ' 33' ' ' ILE . 7.3 mm -127.71 76.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.143 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 ttmt -79.33 121.89 25.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.897 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 84.12 -13.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.858 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.34 45.37 1.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 73.23 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.407 ' C ' HG23 ' A' ' 88' ' ' ILE . . . -147.98 -87.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 72.14 111.107 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -177.52 102.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -85.03 -34.62 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.065 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 87' ' ' PHE . 1.5 m-20 159.62 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.855 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 171.9 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 42.1 t -141.7 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.111 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.554 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.12 131.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 65.45 111.1 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.59 46.17 2.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 63.51 112.435 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.43 18.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 61.53 111.077 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.413 ' HD3' ' CG1' ' A' ' 98' ' ' VAL . 1.2 mpt_? -123.87 100.94 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 74.01 110.881 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 7.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.409 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -129.17 -5.44 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.0 110.887 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.85 -19.0 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 55.42 110.835 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 50' ' ' PHE . 33.3 tp -80.67 -72.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.901 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.674 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.84 -16.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.918 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.479 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 7.3 t30 -85.26 -30.14 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 11.0 m -83.08 -40.41 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.106 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -61.27 -24.69 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 75.04 111.196 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 34.3 m -78.6 -29.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.106 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.473 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.58 -27.74 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.907 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.51 ' CD2' HG23 ' A' ' 108' ' ' THR . 21.1 m-70 -101.35 -46.71 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.829 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.506 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.5 t -95.97 -29.5 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.2 -12.18 83.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 63.23 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 72.22 111.105 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.878 0.371 . . . . 73.35 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.5 19.73 5.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 73.1 112.482 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.403 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -103.19 177.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 72.11 111.16 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 29.3 m -53.06 95.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.089 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 23.8 mm -44.27 168.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -143.57 81.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.02 111.068 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.0 -179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 178.98 28.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.853 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.6 p-10 174.56 27.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.9 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.7 OUTLIER 63.94 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.895 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -29.84 -40.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.844 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -79.46 -42.21 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.916 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.27 -39.17 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.927 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -69.09 -32.51 71.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.89 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.19 -16.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.04 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -106.22 -52.64 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.895 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.44 -24.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.867 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.63 -25.06 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.125 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -83.55 27.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.875 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.31 -44.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.11 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -40.05 80.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.898 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.1 -43.28 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.897 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.06 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.54 111.127 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.46 35.8 7.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.507 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 7.7 ptpt -134.15 155.44 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 72.03 110.958 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -67.59 163.49 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 65.01 111.108 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 50.8 t -114.47 144.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.6 mp -142.01 97.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.096 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -99.28 125.4 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 70.25 111.156 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -103.02 96.71 6.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.892 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CD1' HG13 ' A' ' 65' ' ' VAL . 50.4 m-85 -61.3 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.89 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 64.3 111.119 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 72.04 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -79.53 -40.84 28.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.839 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.652 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 3.8 tt -105.04 9.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.25 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.7 -54.89 48.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.544 0.688 . . . . 63.12 111.095 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.8 4.25 2.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 70.11 112.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.571 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 4.2 t -98.74 -48.6 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.111 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.9 m-30 -63.33 -72.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.849 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.476 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -44.9 -48.23 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 62.11 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -64.29 -31.49 72.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.86 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.6 m-30 -70.64 -46.32 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.887 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -41.24 -44.36 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 72.3 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 15.8 mtpp -76.78 -41.29 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.935 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -55.65 -28.29 54.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.31 110.873 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.581 ' CE1' HG21 ' A' ' 109' ' ' ILE . 16.3 m-85 -114.48 89.19 17.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 75.44 110.881 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -6.15 17.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.43 112.337 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -90.01 19.68 40.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 71.34 112.505 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.589 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.88 162.67 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 74.32 111.077 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 27.2 m -94.78 -33.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.1 111.149 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 83.5 m-85 56.25 160.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 161.03 150.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.917 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.554 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -118.36 131.85 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.42 110.924 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 35' ' ' PHE . 2.5 p -119.19 149.76 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 64.41 111.154 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 9.9 t0 -101.87 120.47 40.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 71.54 110.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 15.7 m -88.13 37.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.14 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -131.01 -24.19 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 54.31 110.819 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 70' ' ' LEU . 2.0 pp20? -114.15 -35.05 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.909 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.4 pt? -125.63 26.59 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.34 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -31.67 -30.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.906 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -38.58 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.856 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 17' ' ' PHE . 19.0 t -86.96 -36.69 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.11 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -74.07 -11.4 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.096 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.56 -20.41 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.14 -27.88 35.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.857 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-30 -99.44 -14.79 18.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 5.9 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.21 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.553 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.598 0.713 . . . . 75.22 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.553 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.74 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.248 . . . . 72.51 112.377 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.514 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -37.23 123.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.149 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -86.75 64.22 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 64.42 110.887 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -51.64 145.57 8.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.867 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 42.6 m-85 -123.51 135.48 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.856 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 7.1 mm -121.74 76.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.14 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.2 ttpt -77.86 121.44 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 74.53 110.908 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 8.1 t0 84.62 -17.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 63.03 110.816 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.26 44.52 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.713 . . . . 70.02 112.484 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.34 -86.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 73.22 111.087 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -174.23 106.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.889 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.27 -30.51 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.02 111.134 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 156.82 -178.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.31 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.504 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.11 -170.43 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.914 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.573 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 41.5 t -162.48 -98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.573 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.74 125.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.139 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.22 48.1 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.498 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.23 13.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.01 111.119 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -127.51 113.96 16.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 62.41 110.827 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.19 4.53 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 18.0 t70 -123.09 -7.52 8.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.83 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.77 -23.47 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.869 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 50' ' ' PHE . 23.7 tp -74.35 -77.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.644 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -46.21 -24.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.939 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.496 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.5 m-80 -75.2 -36.34 61.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 54.22 110.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.586 HG23 ' CZ ' ' A' ' 87' ' ' PHE . 11.5 m -79.11 -37.52 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.196 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.581 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -65.22 -26.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.11 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 111' ' ' LYS . 33.0 m -79.03 -28.63 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.097 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.5 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.6 -26.17 35.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.842 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.461 ' CD2' HG22 ' A' ' 108' ' ' THR . 25.3 m-70 -103.59 -47.8 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.3 110.895 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.512 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.8 t -94.12 -30.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.4 -11.0 85.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 74.41 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 64.34 111.072 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.918 0.389 . . . . 74.24 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.73 22.14 5.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 54.51 112.491 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.77 176.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 74.25 111.138 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 33.9 m -50.56 96.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 111.135 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.8 mm -42.2 166.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -145.98 75.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 63.12 111.068 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 17.0 p -75.65 -168.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 73.03 110.863 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 175.09 30.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.839 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.88 21.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 61.15 110.866 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 67.24 -68.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.89 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.557 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -24.76 -46.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.899 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -80.62 -44.22 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.879 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -50.56 -41.99 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.88 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -64.74 -37.69 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 71.51 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.82 -22.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.137 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.69 -51.3 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.14 110.897 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.491 ' CA ' ' HE1' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.4 -17.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.865 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.55 -20.87 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.182 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -82.79 20.5 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.925 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.52 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -68.01 -47.15 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.873 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -43.59 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 72.22 110.901 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.42 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.89 30.73 22.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 72.22 112.517 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.04 148.91 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 70.22 110.929 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.51 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -64.36 162.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 72.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 39.8 t -114.82 152.61 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 73.53 111.16 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.661 ' CG2' ' CD2' ' A' ' 85' ' ' PHE . 4.5 mp -144.69 94.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.132 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -92.68 121.02 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.094 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -100.78 92.64 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.852 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.635 ' O ' ' CB ' ' A' ' 36' ' ' THR . 54.2 m-85 -65.74 -165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.635 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 1.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.168 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 74.44 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -76.18 -45.78 31.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.649 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -104.33 9.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.118 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -55.32 -55.34 40.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 73.22 111.066 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.2 Cg_endo -69.71 4.5 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.718 2.279 . . . . 73.45 112.365 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.6 t -100.48 -48.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.35 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.649 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.8 m-30 -61.71 -71.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.822 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.47 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -47.21 -51.06 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.43 111.072 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.7 pt-20 -59.69 -30.77 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.1 m-30 -73.54 -47.45 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.933 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.525 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -40.49 -42.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 70.52 111.103 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 12.8 mtpp -77.77 -39.95 42.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -55.4 -31.34 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.93 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.24 90.19 9.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 75.02 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.2 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 75.42 112.348 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -95.96 21.45 44.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.485 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.526 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -146.74 163.79 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 74.25 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 15.0 m -96.85 -35.09 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 65.45 111.157 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.525 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 91.5 m-85 57.02 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 60.45 110.935 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 164.17 149.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.902 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.556 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.18 133.64 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.55 110.856 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' ' CG2' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -132.99 160.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 75.21 111.116 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -109.28 119.42 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 35' ' ' PHE . 11.5 m -76.84 36.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 66' ' ' ASP . 33.7 t0 -128.08 -21.97 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -109.84 -38.98 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.02 110.871 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -127.65 21.71 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.41 110.899 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.85 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.847 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.2 pt-20 -34.7 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 60.22 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 63.1 t -78.34 -47.12 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 75.42 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -62.35 -32.14 72.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 111.089 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.55 -26.28 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -75.97 -29.6 58.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.91 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.591 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 21.3 m-85 -95.83 -24.33 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.45 110.912 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 6.4 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 74.24 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.51 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.569 0.699 . . . . 64.1 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.4 Cg_endo -69.75 37.67 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 74.51 112.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.487 ' N ' ' HG2' ' A' ' 82' ' ' MET . 0.9 OUTLIER -55.63 129.56 39.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.124 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.702 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -86.13 41.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.881 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -33.97 146.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.52 110.914 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.9 m-85 -123.61 156.53 35.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' A' ' 77' ' ' TYR . 4.0 mm -142.25 80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 75.54 111.148 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.6 ttpt -81.28 120.36 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.933 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 6.1 t0 82.88 -9.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.832 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.9 43.26 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 61.15 112.459 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.54 -90.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.315 . . . . 54.22 111.09 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -174.66 99.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.876 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -79.96 -35.79 37.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.061 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 87' ' ' PHE . 4.3 m-20 161.26 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.851 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 171.82 13.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.566 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 65.0 t -144.39 -101.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.22 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.566 ' CG2' ' O ' ' A' ' 97' ' ' VAL . 1.2 t 169.22 139.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.179 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -87.45 42.84 3.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 64.1 112.468 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.38 12.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.308 . . . . 73.22 111.108 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.18 116.89 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.887 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -92.86 13.77 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.934 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.95 -3.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.22 -30.92 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 10.0 tp -61.64 -72.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.73 -34.91 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.913 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.02 -29.34 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.541 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 16.4 m -84.23 -44.49 13.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.53 111.147 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.1 mp -58.6 -25.89 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.516 HG22 ' N ' ' A' ' 111' ' ' LYS . 30.4 m -79.28 -29.09 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.52 111.159 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.516 ' N ' HG22 ' A' ' 110' ' ' VAL . 2.0 ptmt -81.25 -27.68 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 71.43 110.867 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.466 ' CD2' HG23 ' A' ' 108' ' ' THR . 23.1 m-70 -101.73 -47.46 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.12 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.7 t -94.7 -30.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 74.55 111.129 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.03 -10.15 86.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 42.5 112.48 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 73.32 111.097 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.772 0.32 . . . . 63.31 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -121.97 -18.61 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.099 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.58 39.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 63.43 111.124 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ALA . 3.3 tm-20 60.4 93.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.914 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.1 mm-40 -92.47 -155.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 70.2 110.85 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.27 31.35 3.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 73.13 112.468 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 m -109.83 -178.45 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 74.14 111.118 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 28.4 m -52.95 95.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.11 111.16 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 64' ' ' LYS . 17.0 mm -43.39 168.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -138.73 60.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -47.48 159.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.843 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 37.0 m80 -165.26 36.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.3 p-10 -178.77 26.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 54.15 110.873 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.9 -69.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.904 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.61 -46.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.87 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -39.71 66.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.883 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.31 -39.83 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 72.22 110.891 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.574 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.51 -40.6 80.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 70.4 110.871 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.87 -22.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 55.32 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LYS . 17.6 mp0 -105.24 -54.34 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 70.03 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -46.31 -25.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.1 110.888 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.07 -25.21 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 72.22 111.106 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.5 mttm -82.86 22.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.883 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.08 -45.74 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.42 111.078 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -42.14 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -86.89 -39.41 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 64.03 110.872 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 23' ' ' LYS . . . -64.34 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.33 111.078 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 36.26 7.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 71.31 112.432 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 9.5 ptpt -136.32 157.37 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 74.33 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.514 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -69.31 163.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 73.21 111.118 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.581 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 42.2 t -113.36 143.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.13 111.126 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.3 mp -141.32 97.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 71.35 111.128 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -99.05 128.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 75.41 111.111 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.512 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 4.3 t0 -101.85 89.06 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.828 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CD2' HG12 ' A' ' 79' ' ' VAL . 32.3 m-85 -61.73 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.892 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.455 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER 161.71 136.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.12 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -69.01 -66.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 71.53 111.091 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.06 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 64.53 110.876 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.431 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 4.3 m-90 -92.94 -37.75 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.889 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 39' ' ' TRP . 2.0 m 77.78 -59.0 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 71.44 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.73 -104.72 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 42.41 112.516 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 53.3 Cg_endo -69.82 -52.44 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.7 2.267 . . . . 65.41 112.287 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' PRO . 0.7 OUTLIER 35.02 31.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 74.45 110.849 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 42' ' ' PRO . 10.9 mtt180 -158.43 -48.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.864 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.6 -43.12 85.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 74.01 110.871 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.66 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.09 8.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 72.15 111.115 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -55.94 -55.2 43.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 70.44 111.091 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.74 4.23 2.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 62.24 112.372 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 4.8 t -98.78 -49.08 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 63.54 111.092 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.66 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 14.7 m-30 -63.16 -71.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.477 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.03 -48.98 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.24 111.079 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -63.25 -31.45 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 75.42 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.576 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.9 m-30 -70.83 -44.99 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.911 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.53 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -43.18 -43.42 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 73.02 111.087 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -78.65 -42.06 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 75.41 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.01 -27.42 31.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.32 110.872 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 109' ' ' ILE . 18.2 m-85 -115.27 90.3 23.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.21 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.56 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 72.45 112.348 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.521 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.43 20.07 43.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 71.43 112.485 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.605 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.51 164.64 34.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.45 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 30.7 m -97.38 -36.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 71.42 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.53 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 88.0 m-85 58.31 152.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.85 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.525 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 170.48 149.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.96 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.525 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.1 133.36 53.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 75.04 110.889 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -127.92 167.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.118 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 11.3 t0 -113.77 122.3 46.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.836 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 37' ' ' ALA . 6.2 m -82.56 34.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.138 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 -18.36 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.886 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -118.68 -32.56 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -129.61 23.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.67 -34.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.949 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -36.13 -28.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 73.42 110.873 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 28.4 t -78.16 -44.79 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 74.12 111.104 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -68.31 -33.18 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.111 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.06 -23.36 66.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.854 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.527 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -80.22 -32.62 38.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.895 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.552 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-85 -96.35 -16.0 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.75 72.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -105.59 -31.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 73.33 111.09 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER 86.22 -70.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 64.31 110.838 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 169.11 97.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 73.22 111.079 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.519 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 174.93 168.69 0.34 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 74.21 110.903 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.5 Cg_endo -69.82 36.31 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.641 2.227 . . . . 65.41 112.331 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -58.88 120.28 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.118 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.78 40.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -33.12 142.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.3 110.946 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.2 m-85 -118.62 155.01 31.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.907 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.552 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.3 mm -139.34 74.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.1 111.144 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 11.3 ttmt -76.68 123.55 26.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.874 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 1.9 t70 81.49 -6.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.35 110.871 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.97 43.2 3.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 75.33 112.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.67 -86.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 72.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -177.6 103.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.15 110.913 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.48 -33.92 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 71.52 111.12 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.18 179.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.86 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.38 170.1 15.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 75.32 110.937 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 34.3 t -141.44 -95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.41 111.135 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.559 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 159.32 144.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.01 111.124 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -91.9 49.23 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 65.35 112.47 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' C ' ' HD2' ' A' ' 101' ' ' ARG . . . -155.5 14.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 74.02 111.112 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.429 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 7.8 mpt_? -127.0 110.43 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.838 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -83.06 7.2 16.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.91 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -126.59 -8.21 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.851 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.74 -18.86 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.4 tp -78.72 -75.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 70.33 110.951 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.601 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -48.86 -18.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.3 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.488 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 2.9 t30 -80.24 -33.75 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.88 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.557 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -81.6 -40.54 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.146 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.568 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -60.86 -26.44 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.22 111.151 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.49 HG23 ' N ' ' A' ' 111' ' ' LYS . 34.5 m -78.24 -29.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 75.43 111.153 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.49 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -80.39 -27.9 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.919 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.556 ' CD2' HG23 ' A' ' 108' ' ' THR . 23.7 m-70 -101.29 -47.9 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.827 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.521 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.8 t -93.99 -31.45 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 75.11 111.112 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.52 72.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 71.35 112.525 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 54.92 14.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 70.22 111.054 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.95 -32.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 73.5 111.143 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 53.39 86.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 71.35 111.092 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.55 55.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.102 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.84 89.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.01 110.856 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 56.29 168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.45 111.094 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -136.11 -45.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.091 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mtt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.829 0.347 . . . . 75.4 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' O ' ' OE1' ' A' ' 5' ' ' GLU . . . 51.82 -99.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 71.34 111.162 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 72.14 69.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 71.04 111.107 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 50.5 98.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.33 110.914 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 2' ' ' ALA . 2.0 mm-40 -103.73 -153.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.884 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 27.51 4.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 71.51 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -107.43 178.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 75.21 111.131 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 32.6 m -50.89 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.35 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.435 HG13 ' NE2' ' A' ' 20' ' ' GLN . 22.6 mm -42.36 167.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.145 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -140.73 79.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 61.32 111.104 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 26.3 p -68.29 177.42 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.896 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 27.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.14 110.851 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -174.8 27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.898 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.6 ttmt 66.59 -67.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.894 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -27.32 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 70.05 110.891 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -81.75 -44.13 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.91 -35.78 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.882 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.607 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.3 -45.46 69.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.852 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.93 -23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.08 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ASP . 2.0 mp0 -104.85 -51.08 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.864 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.95 -31.08 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.917 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -92.13 -19.89 21.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 64.12 111.18 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.84 23.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.882 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.5 -51.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 71.24 111.037 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -60.03 -51.0 71.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.851 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.7 -44.96 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.924 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.7 -26.63 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.35 111.105 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.65 34.18 16.83 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.695 -0.764 . . . . 55.22 112.459 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -127.2 161.18 29.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 71.21 110.904 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -74.02 161.4 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.24 111.132 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 53.1 t -116.48 150.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.569 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.2 mp -143.41 94.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.102 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 HG23 ' CD2' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -95.65 127.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.111 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.76 93.62 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.851 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.617 ' CE2' ' CG1' ' A' ' 79' ' ' VAL . 31.4 m-85 -64.65 -167.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.838 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.442 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER 162.8 139.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 70.44 111.201 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.31 -63.81 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 74.24 111.085 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.8 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.837 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 15.4 p90 -105.97 -49.69 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 65.44 110.935 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.53 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 7.9 t -64.79 104.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 75.03 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.81 122.56 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 74.3 112.521 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 75.11 112.389 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.2 t 50.52 20.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.908 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -136.81 -54.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.811 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -68.24 -42.3 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 65.23 110.927 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.643 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.0 tt -104.02 10.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 72.34 111.121 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.49 -54.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 73.3 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 3.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.2 112.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.572 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 5.3 t -98.24 -48.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.643 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.0 m-30 -63.98 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.865 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -43.89 -49.29 8.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 65.22 111.077 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -62.71 -33.44 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.857 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.3 m-30 -69.16 -44.8 71.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.913 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -43.82 -43.03 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 73.33 111.128 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 13.0 mtpp -78.96 -42.96 25.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -54.15 -25.29 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.31 110.86 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE1' HG22 ' A' ' 109' ' ' ILE . 14.3 m-85 -117.73 89.07 32.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 74.52 110.866 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.07 17.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 74.13 112.344 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -90.76 19.81 42.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 74.53 112.517 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.569 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -147.88 168.1 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.01 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 16.1 m -101.16 -34.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 53.54 111.113 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 85.5 m-85 55.93 161.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 161.22 147.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -116.26 132.29 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.909 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.549 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 14.7 p -121.97 161.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 61.21 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -116.26 113.02 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.86 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 2.6 m -78.63 39.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.5 111.153 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.92 -21.62 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.851 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -115.64 -35.31 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.937 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.9 pt? -126.99 24.83 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 73.11 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.93 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 pt-20 -33.56 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.563 HG12 ' CE2' ' A' ' 17' ' ' PHE . 70.0 t -74.51 -47.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 73.3 111.107 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -65.8 -24.52 66.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 70.44 111.099 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.84 -19.43 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -86.67 -29.18 22.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.23 110.86 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.58 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.7 m-30 -98.71 -14.99 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.45 110.916 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 65.69 69.76 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.24 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.617 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 1.1 m -101.6 -23.99 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.559 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.2 OUTLIER 88.98 -72.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.863 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.493 ' C ' ' HG3' ' A' ' 82' ' ' MET . . . 166.71 60.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 70.32 111.095 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.538 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -142.14 170.61 8.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 74.44 110.881 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.79 21.3 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.32 112.371 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.522 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -46.11 128.76 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 65.03 111.138 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.638 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -89.1 43.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.5 110.892 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.496 HD11 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.58 140.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 27.7 m-85 -120.33 143.68 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.862 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.58 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.0 mm -128.7 82.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 63.32 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.6 ttpt -83.89 122.56 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.904 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.8 t70 82.4 -10.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 70.3 110.848 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.23 48.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -153.0 -85.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 73.11 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -176.34 107.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.875 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.95 -32.51 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 74.43 111.102 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.0 m-20 157.83 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 73.33 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.493 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.87 -176.05 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.578 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 30.2 t -155.88 -94.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 74.14 111.116 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.578 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 160.04 133.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.069 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -85.71 45.91 3.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 74.2 112.463 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.48 18.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 74.45 111.102 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -128.58 115.35 17.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 70.23 110.894 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 8.84 20.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 75.3 110.882 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.425 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 30.3 t70 -124.83 -10.96 7.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.872 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.02 -21.7 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 73.21 110.914 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 50' ' ' PHE . 30.3 tp -77.41 -76.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.696 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.38 -20.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.1 110.93 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.494 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.98 -34.47 33.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.874 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 97' ' ' VAL . 20.8 m -80.1 -41.07 26.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 71.43 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.16 -26.78 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 111' ' ' LYS . 33.5 m -78.84 -28.69 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.12 111.148 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.495 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -81.3 -28.6 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.42 110.9 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.443 ' CE1' ' CG ' ' A' ' 111' ' ' LYS . 19.1 m-70 -100.97 -45.0 5.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.35 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.506 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.7 t -97.0 -30.38 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 70.2 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.46 -11.64 68.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.21 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 116' ' ' THR . . . 53.99 105.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 73.22 111.106 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.7 m 84.6 64.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.13 111.097 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 116' ' ' THR . . . -31.54 119.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 63.04 111.072 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -36.94 -51.63 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 70.2 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 m 62.28 89.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' ALA . . . -147.18 148.85 31.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 75.03 111.106 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.6 m 46.18 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 74.11 111.08 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.784 0.325 . . . . 74.21 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -104.61 -14.8 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.31 111.063 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.93 43.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 44.42 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 58.08 89.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.89 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -88.92 -157.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 61.32 110.902 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.3 26.91 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 62.25 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -105.91 175.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 70.21 111.119 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG1' ' HB1' ' A' ' 54' ' ' ALA . 33.5 m -50.34 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 65.52 111.103 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 21.4 mm -46.2 167.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 74.04 111.153 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -144.23 83.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.11 111.125 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 23.3 p -67.37 179.42 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.866 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 17.6 m-70 -177.15 37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 176.57 24.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.89 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 66.88 -67.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.873 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -27.95 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.874 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -80.12 -44.44 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 70.33 110.862 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.11 -35.82 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.865 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 2.3 m-20 -73.2 -33.72 65.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.24 -22.62 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.18 -51.7 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.36 -19.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.878 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.11 -19.09 15.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.202 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.42 19.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 75.11 110.898 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.568 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.26 -45.78 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.25 111.132 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -62.69 -48.63 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.22 -47.37 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.868 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.19 -27.48 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.11 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.4 35.73 11.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 63.42 112.516 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -128.0 158.29 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 71.45 110.925 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -70.13 161.94 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.144 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.568 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 19.9 t -116.9 149.03 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 65.31 111.142 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.554 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.2 mp -143.26 95.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 73.02 111.152 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -94.98 129.78 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.34 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.31 92.81 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.855 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.589 ' CE2' HG12 ' A' ' 79' ' ' VAL . 43.4 m-85 -65.97 -167.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER 164.83 142.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.145 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.53 -64.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 63.13 111.091 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -170.92 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.823 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -77.81 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 73.32 110.963 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.0 t 76.37 157.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.67 -114.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 65.42 112.508 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HG2' ' H ' ' A' ' 43' ' ' CYS . 53.4 Cg_endo -69.83 -61.54 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.683 2.255 . . . . 73.33 112.298 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER 76.95 -42.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 64.34 110.844 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 42' ' ' PRO . 13.7 mmm180 -100.76 -32.67 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 71.13 110.872 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 42' ' ' PRO . 34.2 t80 -69.93 -42.35 73.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 71.41 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.659 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 2.4 tt -105.92 10.95 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.02 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.566 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.79 -55.79 41.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 64.15 111.107 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.75 4.98 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 74.24 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.583 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 11.4 t -99.2 -48.66 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.7 m-30 -63.66 -72.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.862 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.1 -48.86 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.35 111.115 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.54 -33.41 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.916 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.8 m-30 -69.2 -46.01 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 73.04 110.923 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -42.77 -44.06 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -77.13 -43.21 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -54.7 -25.52 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 109' ' ' ILE . 16.6 m-85 -117.08 87.75 24.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.74 . . . . 75.43 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.91 14.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 60.24 112.403 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.68 18.84 51.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 70.24 112.497 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.554 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -145.31 171.31 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 74.13 111.129 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.471 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 10.6 m -104.02 -34.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.129 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 89.1 m-85 55.96 160.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 75.24 110.92 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 160.77 147.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.921 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.21 135.88 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.909 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' CG1' ' CG2' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.2 165.66 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 75.04 111.148 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' O ' HD21 ' A' ' 70' ' ' LEU . 45.8 t0 -114.58 115.73 27.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 60.13 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG12 ' CB ' ' A' ' 74' ' ' ALA . 4.3 m -80.13 38.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.072 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -128.93 -22.29 3.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.852 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' OE2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.82 -33.0 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.891 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -128.41 20.73 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.885 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 73.43 110.892 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.5 pt-20 -34.33 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 71' ' ' LYS . 76.4 t -76.36 -46.74 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 70.23 111.087 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -64.58 -33.06 75.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.98 -24.5 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 65.1 110.911 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.44 -31.61 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.41 110.885 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.595 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.9 m-85 -98.51 -14.72 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.897 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 69.4 69.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.929 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.595 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 0.9 OUTLIER -98.88 -29.43 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.15 111.086 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.595 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.1 mm-40 91.89 -72.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.874 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.495 ' C ' ' HG3' ' A' ' 82' ' ' MET . . . 167.14 58.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 70.31 111.116 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.57 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -143.8 171.36 6.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 64.3 110.859 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.511 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 54.1 Cg_endo -69.76 22.66 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.234 . . . . 65.22 112.41 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -44.1 128.24 5.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.193 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.645 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -88.71 40.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.55 110.911 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.51 142.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.52 110.899 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 19.9 m-85 -120.02 152.78 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.595 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.8 mm -137.71 77.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 75.14 111.16 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 7.8 ttpt -78.56 123.73 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.3 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.1 t0 81.61 -12.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.89 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.0 44.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.25 112.524 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.73 -87.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 73.14 111.131 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -175.72 107.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 71.35 110.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -90.85 -32.52 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 65.13 111.129 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.69 178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.853 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.21 174.47 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.874 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 50.1 t -146.53 -98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.13 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.559 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 166.92 135.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.23 111.099 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -83.23 43.42 3.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 63.31 112.512 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HB1' ' CD ' ' A' ' 42' ' ' PRO . . . -152.33 14.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.318 . . . . 75.03 111.084 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -123.46 113.0 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 75.33 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.4 4.65 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.911 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 14.4 t70 -125.92 -7.9 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.891 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -108.82 -18.46 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.865 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 50' ' ' PHE . 35.0 tp -80.34 -75.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.949 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.678 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.85 -19.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.916 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -79.46 -34.55 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.15 110.881 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.579 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 2.6 m -80.52 -38.05 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.23 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -63.34 -26.27 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.077 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 35.0 m -79.13 -30.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.082 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.493 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -79.09 -28.2 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.873 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.529 ' CD2' HG23 ' A' ' 108' ' ' THR . 21.8 m-70 -101.51 -47.2 4.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.816 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.515 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.6 t -94.51 -30.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 63.24 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.68 -17.72 74.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 72.45 112.446 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 52.73 15.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 71.41 111.103 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -158.77 52.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 75.3 111.151 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.481 ' HB1' ' CB ' ' A' ' 111' ' ' LYS . . . -32.35 147.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 73.43 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.16 -67.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.11 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 t -88.74 -50.56 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.859 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -38.3 -60.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 74.04 111.127 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 t 68.33 39.31 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 72.14 110.907 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 72.2 111.097 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.772 0.32 . . . . 73.41 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 3' ' ' ALA . . . -77.56 -97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.111 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 2' ' ' ALA . . . 81.57 51.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 72.41 111.104 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 57.7 90.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.85 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.62 -149.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.21 110.923 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.57 30.5 4.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.521 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.442 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.4 m -110.04 -179.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 73.55 111.132 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 26.9 m -51.8 95.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.35 111.146 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 64' ' ' LYS . 30.2 mm -42.06 165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.138 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.446 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -135.94 60.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.03 111.123 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -45.03 160.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 73.34 110.842 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -167.1 35.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.84 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.572 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.1 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 70.23 110.914 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 65.62 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.907 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.34 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.899 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.19 -42.64 20.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.86 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.38 -39.38 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.853 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.6 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -68.74 -39.27 80.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.88 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.04 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ASP . 1.2 mp0 -107.22 -52.15 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.86 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.57 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.97 -25.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.15 110.861 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.64 -23.13 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 71.21 111.122 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.2 mttm -84.19 27.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.829 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.89 -45.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.898 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.14 -39.9 15.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 71.44 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 -30.28 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 70.41 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.48 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 70.24 112.536 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' HD3' ' C ' ' A' ' 60' ' ' ALA . 8.9 ptpt -133.24 158.99 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 71.44 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -71.36 160.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 74.21 111.141 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.2 t -113.0 146.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.111 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.592 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -142.87 96.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.18 127.53 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 73.23 111.167 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t70 -102.43 84.69 2.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 79' ' ' VAL . 29.6 m-85 -56.22 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.919 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER 164.38 129.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.34 111.096 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.06 -79.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.32 111.129 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.72 -40.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.861 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -124.74 -52.43 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -38.16 108.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.909 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.22 143.81 4.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 75.15 112.429 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 73.41 112.311 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m 48.76 31.22 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.889 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -155.32 -62.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.888 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CG ' ' A' ' 44' ' ' ARG . 81.6 t80 -56.27 -42.4 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.843 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.29 10.97 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.118 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.21 -54.8 50.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 73.12 111.088 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.78 4.82 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 75.43 112.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 4.5 t -99.55 -48.46 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.069 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.6 m-30 -64.23 -71.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.86 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -49.27 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.11 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.15 -32.68 73.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.875 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.9 m-30 -69.91 -45.91 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.907 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -41.88 -43.8 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 72.33 111.066 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 9.4 mtpp -78.32 -42.24 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.906 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 109' ' ' ILE . 15.9 m-85 -110.45 89.1 8.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 72.43 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.8 10.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 74.43 112.345 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.499 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -94.01 19.11 54.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 45.42 112.514 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.592 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -150.37 163.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 74.3 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 28.2 m -95.55 -37.37 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 71.42 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 87.9 m-85 58.93 150.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER 175.4 151.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -126.48 127.69 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 71.45 110.89 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.81 166.56 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 71.21 111.138 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 18.8 t0 -110.45 120.6 42.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.523 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 21.9 m -82.58 34.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.079 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.86 -19.26 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.848 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.554 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 8.8 pt-20 -117.06 -33.09 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -128.25 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.938 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.3 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.879 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.5 pm0 -35.88 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 74.41 110.917 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.562 HG12 ' CE2' ' A' ' 17' ' ' PHE . 57.7 t -79.75 -44.97 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 64.15 111.091 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -69.15 -35.28 76.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 53.2 111.125 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.72 -26.57 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 72.01 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.57 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.66 -34.03 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.874 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.5 m-85 -93.52 -13.12 28.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.927 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 65.31 69.82 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 74.23 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.577 HG12 ' CD2' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -103.2 -23.03 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 75.4 111.114 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.56 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.5 mm-40 89.07 -72.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.869 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.475 ' C ' ' HG3' ' A' ' 82' ' ' MET . . . 166.44 59.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 75.25 111.095 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.556 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -141.16 170.67 8.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.514 0.673 . . . . 75.34 110.9 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.71 21.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.721 2.281 . . . . 74.24 112.346 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.527 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -44.77 128.75 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 73.21 111.155 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -86.35 38.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.483 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -30.55 143.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.921 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -120.75 157.21 30.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.836 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.3 mm -142.03 75.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.52 111.118 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.0 ttpt -77.34 122.01 24.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.903 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 83.69 -13.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.887 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.55 42.94 1.92 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 74.34 112.504 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.68 -88.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.31 . . . . 74.23 111.086 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.43 104.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.91 -33.48 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.42 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.05 179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.47 171.78 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.892 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.541 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 40.5 t -142.83 -95.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 75.22 111.118 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.541 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.17 131.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.01 111.17 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.08 43.68 2.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 71.21 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.37 14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 74.22 111.069 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -124.65 113.86 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.878 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.81 11.96 16.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 70.12 110.925 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.87 -4.21 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.31 110.855 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -112.63 -34.92 5.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 62.03 110.904 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 85' ' ' PHE . 12.8 tp -60.75 -70.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.946 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -51.76 -22.75 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.891 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.0 OUTLIER -75.92 -30.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.22 110.91 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 1.5 m -84.43 -40.72 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.35 111.145 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.72 -24.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 111' ' ' LYS . 33.1 m -79.6 -28.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.505 ' N ' HG23 ' A' ' 110' ' ' VAL . 1.3 ptmt -81.7 -28.22 33.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.89 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.564 ' CD2' HG22 ' A' ' 108' ' ' THR . 21.4 m-70 -100.37 -48.51 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.856 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.499 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 4.1 t -94.24 -30.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.13 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -77.97 -9.29 87.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 60.11 112.479 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . 36.73 41.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 61.24 111.103 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.3 m -161.91 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 74.53 111.123 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.408 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 52.71 176.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.116 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.79 152.68 50.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.095 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.53 119.42 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.44 110.875 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.85 169.13 21.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.22 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.16 -55.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.859 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.11 111.084 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.763 0.316 . . . . 75.5 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.11 -109.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 61.42 111.072 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.31 11.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -179.74 55.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.854 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.67 -148.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.905 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.3 24.53 3.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 74.23 112.497 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -108.44 177.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 73.32 111.131 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 24.9 m -51.41 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 71.3 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.457 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 35.7 mm -42.99 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.15 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.457 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.36 58.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.078 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -48.89 162.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.54 110.882 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 9.1 p80 -169.62 33.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.875 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.0 p-10 -174.75 25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.852 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 63.93 -70.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 72.43 110.917 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -28.99 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.875 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.3 mt-10 -79.54 -43.56 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.827 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.07 -39.45 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.851 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -66.86 -45.0 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.49 -24.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.098 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.9 mp0 -101.13 -57.61 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.907 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.592 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.67 -21.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.14 110.906 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -95.61 -26.91 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.14 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.1 mttt -82.5 22.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 72.02 110.899 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.585 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.96 -46.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.11 111.077 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -38.57 86.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 74.24 110.874 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -89.28 -41.53 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.882 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.114 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.23 35.6 6.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 63.15 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' CD ' HG12 ' A' ' 61' ' ' VAL . 8.3 ptpt -136.48 155.17 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 74.52 110.865 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -69.18 163.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.15 111.152 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.585 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 42.2 t -114.37 146.67 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 63.25 111.114 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.596 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.8 mp -142.5 96.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -98.26 126.77 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 64.23 111.145 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.52 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t0 -100.28 91.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.857 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CD2' ' CG2' ' A' ' 79' ' ' VAL . 12.5 m-85 -61.92 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 72.45 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.3 OUTLIER 164.46 141.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 54.1 111.158 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -76.36 -144.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.101 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -96.84 -26.49 15.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.54 110.83 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.23 21.1 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.78 104.0 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.49 128.05 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 63.25 112.469 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 75.22 112.352 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 41.34 37.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -142.25 -57.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.832 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.8 -42.82 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 75.22 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -103.53 11.17 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.079 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.23 -54.26 56.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 72.22 111.132 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 61.0 112.344 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.554 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.5 t -99.29 -48.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.53 111.158 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.1 m-30 -63.79 -71.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.903 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -45.07 -48.96 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 71.55 111.12 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -62.88 -33.04 74.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.914 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.554 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.7 m-30 -69.52 -46.46 66.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.476 ' CB ' HG12 ' A' ' 8' ' ' VAL . . . -41.11 -44.15 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 70.14 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 10.4 mtpp -76.43 -39.67 52.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.853 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -58.67 -26.86 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.901 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE2' HG21 ' A' ' 109' ' ' ILE . 17.5 m-85 -114.66 88.44 16.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 74.21 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.57 14.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 72.41 112.346 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.492 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.37 19.02 49.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 71.52 112.516 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.596 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.31 165.37 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 75.11 111.08 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG12 ' CD ' ' A' ' 29' ' ' LYS . 35.6 m -97.87 -35.03 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.159 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 90.3 m-85 57.1 158.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.54 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.545 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 165.58 148.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 75.22 110.908 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.38 131.78 53.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.898 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.84 166.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 74.32 111.106 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 21.3 t0 -111.28 123.03 49.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.888 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG13 ' CD1' ' A' ' 35' ' ' PHE . 3.2 m -82.43 33.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.0 111.091 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -126.48 -17.01 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.878 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -116.03 -33.57 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -128.99 23.14 5.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.923 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.7 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 74.53 110.908 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -34.23 -30.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.891 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 71' ' ' LYS . 48.1 t -81.28 -46.66 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 71.33 111.102 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.96 -27.51 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.064 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.9 -32.95 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 72.54 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -73.87 -31.06 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 23.0 m-85 -98.69 1.46 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.908 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.4 t-20 65.14 72.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 75.34 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.599 ' CG2' ' CD2' ' A' ' 35' ' ' PHE . 2.3 t -120.23 117.28 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 74.02 111.127 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.438 ' H ' ' CE ' ' A' ' 82' ' ' MET . 2.0 mt-10 -94.28 57.87 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 75.41 110.857 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . 54.09 100.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.093 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.7 OUTLIER 178.37 158.71 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 72.41 110.88 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.74 18.46 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.681 2.254 . . . . 75.32 112.369 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.512 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -43.33 120.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 71.43 111.158 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.68 40.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.857 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.62 141.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 73.2 110.917 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.631 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.9 m-85 -120.09 154.48 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.585 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 3.7 mm -139.06 79.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 74.21 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 1.0 OUTLIER -81.77 122.65 27.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.879 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.5 t0 82.92 -12.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.74 47.39 1.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 64.21 112.485 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.87 -89.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 64.24 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -172.36 103.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 75.43 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.87 -32.76 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.33 111.115 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 157.11 179.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.77 173.85 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 74.25 110.901 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.575 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 40.7 t -144.0 -97.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.42 111.106 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.575 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.48 125.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 75.01 111.123 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.8 49.13 2.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 74.21 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -153.01 11.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 54.05 111.101 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -123.59 110.87 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.48 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -80.64 1.0 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.925 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 21.1 t70 -123.84 -7.1 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.844 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -107.32 -18.38 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 85' ' ' PHE . 39.2 tp -78.88 -74.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.686 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -49.63 -17.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 63.4 110.903 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.462 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.24 -34.0 37.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.92 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.547 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -82.07 -37.22 26.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.21 111.137 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -64.42 -25.92 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.2 111.167 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 111' ' ' LYS . 35.1 m -78.27 -29.92 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.01 111.152 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.5 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -79.7 -28.59 40.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.876 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.48 ' CD2' HG21 ' A' ' 108' ' ' THR . 22.2 m-70 -100.77 -47.84 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.848 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.6 t -94.22 -30.71 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.25 111.157 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.23 -11.16 85.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 73.53 112.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.15 37.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 71.15 111.102 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 m -158.75 -35.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 61.45 111.128 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 56.75 178.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 61.42 111.03 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.98 116.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.063 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.8 m -56.73 145.77 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.844 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.97 173.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 64.54 111.079 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.3 t -147.85 -55.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.869 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.131 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 75.3 110.869 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 32.06 -144.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 52.21 111.066 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 2' ' ' ALA . . . 78.24 6.65 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.53 111.09 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -179.42 59.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.874 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.2 mm-40 -91.53 -147.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.847 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.49 21.1 7.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 71.44 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.5 m -104.62 -179.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 45.45 111.166 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 27.4 m -52.35 95.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 73.31 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 42.7 mm -42.08 165.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.06 74.76 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 73.1 111.138 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -58.34 161.72 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 61.12 110.892 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -166.97 34.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.15 110.848 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.92 27.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.22 110.928 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.561 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 65.3 -69.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.843 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.32 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 74.33 110.881 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -80.44 -42.77 22.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.892 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.56 -48.67 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.914 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -64.15 -43.92 93.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 71.41 110.87 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.14 -36.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 43.24 111.073 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' OE1' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.47 -53.15 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.93 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.44 ' HE2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.29 -33.84 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.889 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -77.03 -27.5 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 71.12 111.106 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' CE ' ' OE1' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -80.04 24.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.85 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.601 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.22 -52.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.21 111.129 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -44.0 97.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 22' ' ' THR . 1.1 pt-20 -86.38 -40.1 15.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 72.01 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.54 73.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.081 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.81 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 75.13 112.475 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 9.7 ptpt -138.51 155.85 48.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 70.42 110.915 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 31' ' ' VAL . 0.8 OUTLIER -66.81 163.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 74.45 111.113 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.601 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 14.8 t -114.25 146.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 75.15 111.135 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.5 mp -142.61 96.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 74.44 111.112 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.05 126.68 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 71.23 111.148 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -103.47 86.08 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.847 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.572 ' CE2' HG12 ' A' ' 79' ' ' VAL . 39.0 m-85 -58.44 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER 164.11 138.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 63.54 111.164 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' O ' ' C ' ' A' ' 38' ' ' SER . . . -120.74 -150.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 75.11 111.066 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 40' ' ' CYS . 1.2 m 31.18 48.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 71.42 110.86 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' HB2' ' O ' ' A' ' 38' ' ' SER . 21.2 m-90 68.67 -41.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 73.54 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 175.02 169.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.875 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.99 -136.99 7.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 71.23 112.461 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 43' ' ' CYS . 54.0 Cg_endo -69.75 -52.72 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 65.22 112.368 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 42' ' ' PRO . 5.5 t 32.18 42.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 75.43 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.66 -48.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.867 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -81.13 -40.99 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.652 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -106.1 9.78 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.167 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.51 -55.65 40.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 74.05 111.142 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.67 4.44 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.749 2.3 . . . . 74.23 112.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 10.0 t -99.1 -49.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 74.11 111.142 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.3 m-30 -62.67 -71.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.9 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.82 -49.38 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.15 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.87 -31.56 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.4 m-30 -70.7 -45.88 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.912 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . . . -41.58 -43.74 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 75.13 111.074 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 13.8 mtpp -77.19 -41.67 40.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.88 -30.25 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.872 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.578 ' CE2' HG23 ' A' ' 109' ' ' ILE . 18.8 m-85 -111.78 88.05 9.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 74.31 110.87 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 64.13 112.301 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.471 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -100.6 21.02 45.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 32.21 112.486 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.583 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.8 162.86 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 54.25 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.454 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 35.2 m -92.34 -37.19 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.111 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 86.0 m-85 58.11 153.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 168.06 148.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.889 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.458 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -115.41 133.66 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.918 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' A' ' 36' ' ' THR . 91.0 t -116.21 161.71 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.03 111.125 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -118.1 112.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.55 110.867 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 2.0 m -80.57 34.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 74.53 111.16 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 66' ' ' ASP . 15.4 t0 -130.51 -6.08 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.871 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 10.4 pt-20 -131.6 -34.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 71.11 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.8 pt? -130.17 23.93 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.9 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.87 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.9 pt-20 -34.77 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 69.0 t -77.85 -47.76 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 72.33 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -62.47 -33.92 75.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.136 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -24.65 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -79.01 -30.91 44.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 21.9 m-85 -97.76 -17.83 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 74.35 71.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.572 HG12 ' CE2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -105.54 -27.09 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER 86.9 -70.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 72.22 110.901 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . 167.29 57.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 70.1 111.055 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.539 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -140.41 169.48 11.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 74.12 110.859 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.489 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.81 22.44 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 65.44 112.355 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -44.43 125.41 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.114 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -84.45 40.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.885 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.12 143.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.88 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 16.9 m-85 -120.66 159.1 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.881 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.52 HD13 ' CZ ' ' A' ' 77' ' ' TYR . 4.6 mm -144.02 75.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.34 111.117 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -77.09 121.25 23.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.912 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.5 t70 84.05 -12.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.05 41.63 2.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 75.3 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.86 -88.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 71.14 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.85 105.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -87.82 -33.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.25 111.094 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.5 m-20 158.71 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.861 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.06 -178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.862 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.55 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 40.3 t -153.04 -96.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 73.2 111.126 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.55 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.65 131.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.127 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.8 43.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 33.02 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -148.62 11.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 61.51 111.097 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -124.75 114.63 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.862 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.89 3.92 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.902 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.437 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 23.1 t0 -123.14 -7.22 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.845 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.839 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.551 HD21 ' CE1' ' A' ' 50' ' ' PHE . 23.6 tp -79.47 -74.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.704 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.13 -18.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.912 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.415 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 3.7 t30 -79.79 -32.17 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.609 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.0 m -84.09 -38.28 20.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 63.54 111.124 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.578 HG23 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -63.62 -25.12 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.113 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.509 HG21 ' N ' ' A' ' 111' ' ' LYS . 34.1 m -78.74 -29.77 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.509 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -80.57 -28.16 37.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.89 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.501 ' CD2' HG21 ' A' ' 108' ' ' THR . 25.1 m-70 -100.85 -47.8 4.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.848 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.3 t -94.79 -29.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -80.12 -9.4 86.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 74.14 112.481 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . 36.95 39.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 75.21 111.049 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.4 m -161.3 -35.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 70.15 111.155 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 57.6 161.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 63.45 111.092 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.31 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.11 111.12 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.5 89.89 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.848 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 121' ' ' SER . . . -65.21 142.58 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 75.13 111.126 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 77.25 -61.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.832 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 75.03 111.095 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.756 0.313 . . . . 73.14 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -89.39 -17.41 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 73.02 111.089 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.08 39.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 72.1 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' ALA . 3.1 tt0 60.45 92.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.875 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.4 mm-40 -91.11 -155.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.896 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.09 30.94 3.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 62.24 112.496 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.27 177.27 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 73.22 111.166 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 51' ' ' ALA . 30.4 m -49.47 95.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.51 111.098 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.432 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 24.0 mm -43.01 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.12 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.52 62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 73.15 111.113 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -52.73 162.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.903 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 17.2 p80 -169.62 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.561 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.83 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.91 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 65.69 -68.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.868 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -30.96 -37.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.876 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -83.66 -42.46 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.889 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.92 -44.95 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.876 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.95 -39.41 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 61.44 110.886 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -45.28 -21.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -105.58 -55.37 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.894 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.465 ' CA ' ' HE1' ' A' ' 21' ' ' MET . 0.0 OUTLIER -47.3 -24.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.905 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -90.56 -26.07 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.132 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 4.2 mttm -82.87 19.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 72.41 110.858 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -119.98 -47.23 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.41 111.091 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -48.8 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 72.54 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.97 -45.42 50.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.86 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.26 -28.25 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 75.45 111.106 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.22 13.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 72.21 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.48 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -125.36 166.61 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 63.42 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -79.55 159.38 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 74.14 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.527 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 37.5 t -112.51 148.01 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 75.33 111.132 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.59 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.8 mp -142.11 95.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.472 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.07 123.8 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.41 111.09 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 85' ' ' PHE . 3.0 m-20 -100.44 95.26 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 65.41 110.838 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CD1' HG11 ' A' ' 67' ' ' VAL . 45.6 m-85 -68.15 -170.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 71.51 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 35' ' ' PHE . 2.4 t 154.1 135.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 54.11 111.128 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.518 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . . . 163.57 45.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 65.44 111.082 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.71 -26.59 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 64.03 110.872 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -179.58 29.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.11 110.898 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 68.69 92.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -42.95 167.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 73.34 112.54 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' CYS . 53.8 Cg_endo -69.73 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.265 . . . . 72.02 112.343 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER 36.52 34.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.886 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' PRO . 1.6 mtt180 -130.6 -52.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 74.03 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.41 -42.93 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -104.94 9.71 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.163 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.57 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.44 -55.37 43.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 70.55 111.111 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.82 4.48 2.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 51.35 112.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.57 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.2 t -99.31 -48.09 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 75.13 111.16 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.1 m-30 -64.49 -71.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -44.79 -49.33 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.35 111.12 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -62.51 -32.27 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.899 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -71.4 -44.86 64.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.915 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.481 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -42.28 -43.27 3.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.079 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -78.17 -40.68 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.41 110.87 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -56.2 -28.34 57.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.901 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.58 ' CE1' HG22 ' A' ' 109' ' ' ILE . 12.6 m-85 -114.96 89.58 20.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 75.51 110.898 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.9 29.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 71.22 112.372 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.508 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -84.78 19.53 20.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.438 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.59 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -148.89 166.29 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 72.43 111.123 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 32.4 m -96.93 -38.47 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 75.2 111.096 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 89.9 m-85 59.23 146.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 73.04 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 174.33 146.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 73.41 110.909 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.51 134.22 55.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.903 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.22 162.45 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 74.24 111.117 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 13.3 t70 -107.08 127.92 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.888 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.583 HG11 ' CD1' ' A' ' 35' ' ' PHE . 2.9 m -84.25 29.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.16 -20.42 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.854 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -111.84 -35.21 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.4 pt? -127.3 24.13 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 64.33 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.05 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.866 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.5 pt-20 -35.68 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 75.33 110.878 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' LYS . 74.4 t -82.26 -44.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.31 111.108 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -67.23 -31.6 72.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.087 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.78 -21.88 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 74.34 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.592 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.98 -32.03 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 72.41 110.852 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.605 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.8 m-85 -95.82 -20.57 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 73.33 110.911 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 76.14 72.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.886 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -108.85 -29.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.128 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.5 mt-10 85.03 -71.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 63.1 110.923 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . 171.25 63.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.11 111.146 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.524 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -141.25 167.2 17.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 70.32 110.837 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.9 Cg_endo -69.8 21.54 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 74.24 112.361 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.524 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -48.18 128.55 14.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.122 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -88.43 41.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.878 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD11 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.29 137.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -116.17 152.99 32.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.1 mm -138.67 80.07 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 65.21 111.137 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.4 ttpt -80.53 122.07 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.51 110.894 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.7 t70 81.91 -7.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 71.14 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.33 42.97 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 65.1 112.496 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -144.73 -87.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 75.24 111.098 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -175.1 105.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 74.24 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -87.49 -34.02 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.31 111.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.0 m-20 157.09 179.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.805 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.61 -179.73 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.883 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.609 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 13.1 t -151.94 -92.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.22 111.151 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.609 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.16 134.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 63.31 111.155 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -86.96 42.18 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 63.13 112.474 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -154.37 15.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 61.22 111.108 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -123.48 114.06 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 73.13 110.884 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.53 12.18 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.864 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -5.62 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.873 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.73 -30.41 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.551 HD23 ' CE1' ' A' ' 50' ' ' PHE . 15.3 tp -65.27 -76.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 75.22 110.907 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -46.08 -35.2 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.937 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.488 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.5 t30 -63.12 -33.72 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.838 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.565 HG22 ' CD2' ' A' ' 112' ' ' HIS . 6.1 m -80.9 -47.0 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.58 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -53.71 -27.97 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.51 111.109 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 111' ' ' LYS . 29.1 m -78.32 -27.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.12 111.082 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.489 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -82.53 -27.6 31.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.928 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 108' ' ' THR . 20.8 m-70 -102.46 -47.52 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.882 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.508 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.1 t -93.65 -30.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.72 -10.59 86.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 44.54 112.476 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.76 38.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 74.03 111.116 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.7 p -158.93 -35.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 75.11 111.15 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.85 164.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 73.23 111.063 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.45 -57.59 7.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 75.34 111.095 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.6 t -158.76 -50.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 177.33 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.14 111.082 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.71 94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 53.01 110.864 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 73.22 111.076 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.752 0.31 . . . . 64.3 110.852 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -74.97 -17.01 60.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.09 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.88 40.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 65.23 111.116 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 59.04 91.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 61.03 110.844 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 3.3 mm-40 -90.47 -161.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 63.31 110.888 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.05 29.33 3.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 44.15 112.457 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -108.67 176.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 74.53 111.137 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 27.1 m -50.42 95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.15 111.097 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 25.5 mm -43.0 167.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 75.01 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -139.6 74.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.111 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -48.29 175.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.469 ' C ' ' OE2' ' A' ' 69' ' ' GLU . 18.6 t-80 -179.42 30.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 177.14 26.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.878 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.93 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 75.41 110.861 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -31.47 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.879 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.06 -43.9 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.555 ' CE2' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -51.46 -43.81 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.55 110.896 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.487 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.3 m-20 -68.62 -34.44 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.37 -20.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.2 111.111 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' CD ' HG13 ' A' ' 9' ' ' ILE . 1.4 mp0 -104.68 -51.86 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.494 ' CA ' ' HE3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -48.35 -21.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.817 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.63 -23.88 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 72.23 111.15 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.8 mttt -83.54 20.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.919 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.51 -44.27 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 74.45 111.089 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.27 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.42 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.91 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.867 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' CB ' ' HD2' ' A' ' 29' ' ' LYS . . . -63.72 -27.75 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.11 32.18 18.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 61.02 112.504 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -125.32 165.07 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 73.23 110.899 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -78.25 161.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 73.41 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.582 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 44.1 t -113.54 148.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 72.22 111.11 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -143.23 95.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.22 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -95.73 129.57 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.14 111.114 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.486 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -105.44 92.19 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.889 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.598 ' CE2' HG11 ' A' ' 79' ' ' VAL . 29.4 m-85 -62.87 -164.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.869 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER 164.05 137.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 74.33 111.132 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.609 ' CB ' ' CB ' ' A' ' 81' ' ' ALA . . . -131.4 -178.39 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 54.11 111.127 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 0.3 OUTLIER 38.75 78.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 61.13 110.888 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 38' ' ' SER . 4.2 p90 38.57 21.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 74.2 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.9 t 72.48 -178.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 73.52 110.841 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.13 -108.84 3.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 73.43 112.471 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' CYS . 53.6 Cg_endo -69.8 -53.21 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.679 2.253 . . . . 75.43 112.33 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER 35.11 40.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 61.13 110.869 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -154.24 -51.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.838 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.83 -48.24 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.644 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -102.09 10.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 73.2 111.089 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.36 -54.2 57.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 72.22 111.102 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.72 3.73 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 73.34 112.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.553 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.7 t -98.81 -48.46 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 51.41 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.644 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.8 m-30 -63.38 -70.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 8' ' ' VAL . . . -45.51 -48.99 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.21 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -63.43 -30.52 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 74.51 110.883 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -72.25 -45.57 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.955 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.479 ' CB ' HG12 ' A' ' 8' ' ' VAL . . . -41.36 -42.51 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 75.04 111.107 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -77.66 -41.07 39.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 74.45 110.907 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -53.77 -32.09 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.9 m-85 -111.51 89.72 11.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 71.4 110.88 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.07 13.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.635 2.223 . . . . 72.52 112.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.47 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -93.2 21.67 38.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 72.42 112.469 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.579 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.61 165.73 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.12 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 13.1 m -97.61 -35.05 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.138 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 85.7 m-85 56.99 158.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.542 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.4 OUTLIER 169.48 150.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 65.42 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.76 122.66 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 75.35 110.898 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' CG1' ' N ' ' A' ' 66' ' ' ASP . 85.5 t -107.37 161.4 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.104 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' N ' ' CG1' ' A' ' 65' ' ' VAL . 8.9 t0 -121.92 102.96 8.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 72.21 110.865 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 3.4 m -74.72 43.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 75.25 111.094 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 66' ' ' ASP . 6.1 t70 -133.56 -20.01 2.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.858 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.66 -29.69 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.87 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -127.37 21.65 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.908 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.78 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.903 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.2 pt-20 -34.46 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' A' ' 17' ' ' PHE . 53.9 t -76.2 -48.7 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 74.21 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -60.52 -32.07 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.107 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.15 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.887 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -74.56 -34.95 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.13 110.883 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.628 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.6 m-85 -94.51 -12.69 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' ALA . 7.5 t-20 67.9 74.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 74.13 110.858 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.598 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.2 m -115.64 -27.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 63.44 111.166 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 75.68 -64.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.896 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.609 ' CB ' ' CB ' ' A' ' 37' ' ' ALA . . . 170.87 103.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 63.04 111.109 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 178.61 161.2 0.67 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.701 . . . . 75.31 110.874 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.73 20.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 71.41 112.363 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.52 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -47.33 126.69 9.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.01 111.186 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.643 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -85.63 41.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 75.51 110.901 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -31.48 144.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.881 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.0 m-85 -121.42 157.07 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.908 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.628 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 4.5 mm -142.54 77.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.156 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 4.5 ttpt -79.98 121.84 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t70 83.46 -12.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.869 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.75 45.02 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 42.11 112.472 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.3 -89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.321 . . . . 73.44 111.076 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -174.3 104.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.931 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -85.89 -34.07 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.0 111.068 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 157.52 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.15 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.79 174.03 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 70.45 110.936 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.542 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 37.2 t -143.03 -94.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 74.32 111.161 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.542 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 161.21 131.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.104 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -81.75 43.78 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 71.0 112.453 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -151.62 14.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 74.44 111.107 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -126.3 116.22 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.3 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -87.12 6.37 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 70.11 110.907 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.447 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -126.3 -7.48 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.852 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.99 -17.53 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.901 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.577 HD23 ' CE1' ' A' ' 50' ' ' PHE . 21.7 tp -81.09 -74.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.55 110.94 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.653 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -49.47 -18.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.45 110.906 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.6 -33.61 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.849 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.558 HG23 ' CZ ' ' A' ' 87' ' ' PHE . 3.7 m -81.17 -39.54 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.102 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -62.03 -26.6 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 72.55 111.158 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 34.9 m -78.26 -30.65 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.132 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.488 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.01 -28.89 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.917 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.519 ' CD2' HG22 ' A' ' 108' ' ' THR . 21.2 m-70 -100.5 -48.37 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.827 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 HG21 ' CG1' ' A' ' 30' ' ' VAL . 3.1 t -93.33 -30.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.02 -9.18 87.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.514 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.67 37.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 74.31 111.134 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 85.0 m -162.6 -44.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 74.1 111.15 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.472 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 75.66 -47.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 62.5 111.075 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 117' ' ' ALA . . . 80.24 -54.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.41 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.1 p -124.93 95.68 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.884 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -99.97 108.81 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 74.03 111.098 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.58 94.39 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 62.34 110.876 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.079 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.817 0.342 . . . . 73.34 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.08 -100.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.15 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 75.57 58.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 75.32 111.122 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 57.85 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 -147.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 75.51 110.871 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.89 29.36 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 73.43 112.497 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -111.27 179.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 71.45 111.105 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 30.7 m -51.63 95.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 74.04 111.143 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 18.9 mm -42.77 168.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.32 111.123 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.03 56.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.132 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -43.43 160.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 54.02 110.874 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -168.36 38.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.859 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 176.85 28.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.48 -69.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.88 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.45 -38.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.892 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.3 mt-10 -80.89 -41.34 23.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.54 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.584 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.69 -45.12 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 71.51 110.883 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -68.11 -28.97 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -59.98 -7.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.137 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -117.67 -37.66 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.444 ' HE3' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -65.7 -16.84 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.854 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.87 -31.54 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.197 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -80.85 26.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.878 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.528 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.3 -42.37 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 71.33 111.107 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -69.94 -43.37 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.915 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.88 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.09 -29.14 69.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 50.24 111.128 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.36 30.71 13.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.425 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -121.7 163.86 18.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 74.21 110.907 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.495 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -77.23 160.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.15 111.133 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.528 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 9.9 t -114.16 147.75 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.23 111.115 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.599 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.9 mp -142.48 96.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.32 111.072 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -95.73 128.31 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 71.42 111.106 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.7 t70 -101.41 86.75 3.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.851 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.567 ' CD2' HG13 ' A' ' 79' ' ' VAL . 30.8 m-85 -61.0 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER 166.23 134.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.32 111.131 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.427 ' HB3' ' CB ' ' A' ' 81' ' ' ALA . . . -100.57 174.37 6.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 62.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -36.82 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.856 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -38.33 -39.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.973 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 41' ' ' GLY . 44.1 t 62.11 161.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 75.33 110.914 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 40' ' ' CYS . . . -88.04 -154.64 27.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 71.51 112.437 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -47.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 73.13 112.335 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 46.21 45.32 12.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -156.69 -56.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 71.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.1 -42.51 93.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.902 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.52 11.05 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 73.42 111.087 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.587 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.08 -54.43 54.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 73.22 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 71.23 112.342 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.567 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.7 t -100.1 -48.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.12 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.5 m-30 -63.85 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -46.29 -48.67 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.55 111.123 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -62.76 -32.27 73.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 72.53 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.567 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.5 m-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.903 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -41.71 -42.45 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 70.4 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 14.6 mtpp -78.68 -42.71 27.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 75.55 110.873 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -54.8 -25.98 31.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 74.24 110.913 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 109' ' ' ILE . 17.4 m-85 -115.45 89.36 21.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 72.41 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 64.15 112.355 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.499 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -94.37 23.29 32.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 53.43 112.487 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.599 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -150.87 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 72.21 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 33.3 m -94.67 -35.86 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.159 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 90.3 m-85 57.25 160.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.866 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 160.88 147.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 74.11 110.914 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.08 132.9 54.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.35 110.926 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' HD22 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.141 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 18.0 t0 -110.57 121.7 45.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.879 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.411 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 16.4 m -82.96 33.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.92 -19.88 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.607 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 9.0 pt-20 -115.5 -33.05 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 61.45 110.885 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.6 pt? -129.14 23.49 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 64.52 110.948 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.09 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.919 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.4 pt-20 -34.05 -31.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.572 HG12 ' CE2' ' A' ' 17' ' ' PHE . 86.5 t -76.49 -47.41 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 73.21 111.09 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 54.13 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.66 -18.44 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.917 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.582 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -86.16 -31.56 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 63.43 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.582 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.5 m-85 -96.69 -15.91 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.918 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.62 74.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.891 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.567 HG13 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -102.34 -33.69 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 73.25 111.147 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.3 mt-10 87.89 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.914 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 37' ' ' ALA . . . 172.73 90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.35 111.104 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 176.86 164.58 0.48 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.576 0.703 . . . . 71.41 110.849 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.8 40.94 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 74.11 112.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.491 ' HB ' ' CE ' ' A' ' 82' ' ' MET . 0.7 OUTLIER -62.93 116.89 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 63.02 111.143 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.26 60.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.862 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.487 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -48.31 143.18 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 74.43 110.927 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 40.0 m-85 -120.6 141.69 50.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 70.52 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.557 HD12 ' CE1' ' A' ' 77' ' ' TYR . 11.9 mm -128.5 77.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.05 111.09 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 10.5 ttmt -78.67 122.49 26.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 74.35 110.848 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.3 t0 83.41 -15.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 44.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 74.32 112.533 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' C ' HG22 ' A' ' 88' ' ' ILE . . . -148.81 -86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 65.44 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -175.48 106.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 75.41 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -88.51 -32.0 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.11 111.132 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.3 m-20 157.73 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 64.01 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.487 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -128.35 -171.3 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.896 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.568 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 37.7 t -161.96 -96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 72.11 111.11 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.568 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.77 143.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 75.14 111.141 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.39 49.06 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.513 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -155.73 16.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 75.03 111.095 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -131.0 113.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.33 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.27 8.12 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.88 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.451 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 11.7 p-10 -124.8 -10.18 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.3 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.33 -20.63 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.866 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.577 HD22 ' CE1' ' A' ' 50' ' ' PHE . 30.4 tp -78.82 -76.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.71 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.75 -20.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.43 110.934 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.485 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.3 t30 -79.88 -34.08 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 70.43 110.834 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 87' ' ' PHE . 8.8 m -80.78 -40.53 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 75.04 111.099 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -62.8 -26.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 65.41 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 111' ' ' LYS . 34.8 m -78.77 -30.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.157 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -79.63 -28.27 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.928 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.457 ' CE1' ' CG ' ' A' ' 111' ' ' LYS . 21.0 m-70 -101.01 -47.45 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 71.15 110.815 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.499 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.9 t -94.73 -29.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 70.34 111.147 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.9 -11.38 84.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 74.31 112.487 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.59 40.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 75.45 111.071 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.6 m -162.12 -34.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.35 111.16 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 54.44 -180.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.098 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -113.59 -47.73 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.21 111.071 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.8 p -162.83 44.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.56 34.4 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.31 111.094 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.6 m -83.32 93.94 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.925 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 71.11 111.116 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 74.11 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 34.7 -102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 44.31 111.11 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 76.83 79.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.102 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 42.88 90.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 61.21 110.911 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' ALA . 2.3 mm-40 -96.2 -151.12 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 74.42 110.889 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.75 25.56 5.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 50.43 112.483 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -104.08 176.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 72.44 111.155 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 35.6 m -49.95 94.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 61.4 111.13 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 14.2 mm -44.52 170.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.135 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -142.27 81.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 64.13 111.114 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 12' ' ' HIS . 0.8 OUTLIER -54.84 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.92 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' NE2' ' CG ' ' A' ' 64' ' ' LYS . 10.6 m170 67.56 16.51 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.897 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ASP . 17.0 t30 -152.39 10.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 62.66 -72.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.883 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -33.07 -34.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.899 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -89.13 -39.81 13.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.51 110.876 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -53.21 -32.43 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.2 110.884 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -70.83 -34.22 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.87 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -56.26 -29.13 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -94.97 -52.7 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -24.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -94.9 -19.27 20.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.198 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -83.56 23.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 75.04 110.918 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.613 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.93 -47.0 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.046 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -41.39 96.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.896 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.17 -42.38 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.885 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.24 111.077 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 36.38 7.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.5 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 60' ' ' ALA . 8.9 ptpt -135.53 160.6 37.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 72.54 110.916 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -71.65 160.52 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.105 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.613 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 36.3 t -111.5 143.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.607 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.4 mp -141.54 98.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 74.41 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.491 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.74 126.78 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.105 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.8 t70 -99.01 91.89 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.857 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.656 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 32.4 m-85 -64.93 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.865 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.1 OUTLIER 162.97 141.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 74.44 111.151 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -77.84 -169.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.046 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -64.44 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 73.12 110.827 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' CYS . 6.7 m-90 -118.5 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.896 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -34.75 123.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.52 110.908 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.79 101.95 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 73.21 112.489 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.69 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.726 2.284 . . . . 64.45 112.301 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.7 m 40.07 36.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.88 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -135.42 -56.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.878 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -71.56 -42.63 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.891 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.659 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -104.91 10.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.24 111.12 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.589 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.27 -54.21 55.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 75.22 111.105 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.79 4.66 2.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.676 2.251 . . . . 75.12 112.376 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 5.6 t -100.25 -47.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 75.32 111.117 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.0 m-30 -63.27 -71.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.495 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -46.32 -48.73 18.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.09 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -62.77 -32.55 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 74.11 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.6 m-30 -71.37 -44.67 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -42.34 -42.69 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 11.4 mtpp -78.82 -40.83 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -53.74 -30.16 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.4 110.927 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 109' ' ' ILE . 16.3 m-85 -113.24 88.66 12.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 72.33 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -1.61 8.72 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.728 2.285 . . . . 70.32 112.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.487 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -94.3 19.99 50.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.607 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -148.95 165.07 32.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.23 111.091 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 35.4 m -93.84 -36.83 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 81.4 m-85 58.28 151.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 73.21 110.86 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER 170.24 148.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.935 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' CG ' ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -115.26 132.29 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.91 179.817 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.656 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 8.6 p -118.62 163.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.21 111.102 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' O ' HD22 ' A' ' 70' ' ' LEU . 1.1 t0 -120.6 115.19 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.864 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 36' ' ' THR . 2.5 m -80.48 34.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.41 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 66' ' ' ASP . 12.5 t70 -127.12 -11.12 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 64.1 110.852 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.09 -38.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.857 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.7 pt? -124.66 22.42 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.77 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 74.54 110.925 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.7 pt-20 -35.82 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.888 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 71' ' ' LYS . 73.0 t -80.16 -45.34 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.12 111.166 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -65.61 -32.18 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.085 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.27 -23.78 67.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.547 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -81.42 -32.19 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.909 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.8 m-85 -96.39 -17.06 20.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.928 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 73.26 74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 74.33 110.872 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.584 HG13 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.48 1.88 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.125 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' VAL . 2.8 pt-20 37.03 28.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 79' ' ' VAL . . . 68.57 104.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 176.52 163.12 0.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 75.34 110.932 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.2 Cg_endo -69.79 22.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 72.54 112.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -53.25 121.37 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 72.21 111.135 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.629 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -79.66 42.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.921 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.64 141.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 74.33 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.6 m-85 -118.85 153.07 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.875 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.608 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.1 mm -138.62 75.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 71.43 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.0 ttmt -78.04 122.76 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.914 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.22 -9.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 72.23 110.888 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.9 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 51.44 112.512 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.97 -87.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 75.12 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -176.53 105.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.17 -32.84 17.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 71.42 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.8 m-20 158.4 179.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.32 110.896 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.24 177.95 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.916 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 44.0 t -147.33 -97.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 75.03 111.139 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.566 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.89 134.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 70.22 111.109 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.22 42.2 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.775 . . . . 74.44 112.458 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.9 12.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.734 0.302 . . . . 73.02 111.053 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.07 116.44 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.875 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.509 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.23 11.88 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.935 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.23 -3.84 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.872 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -112.22 -33.52 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.877 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 85' ' ' PHE . 6.2 tp -62.29 -72.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.899 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -50.1 -33.93 20.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 74.52 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -64.7 -27.41 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.908 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.588 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.8 m -86.7 -47.01 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 75.41 111.162 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.588 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.0 mp -55.53 -28.1 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.128 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 111' ' ' LYS . 15.8 m -78.46 -27.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.475 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -82.78 -27.7 30.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.923 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.56 ' CD2' HG21 ' A' ' 108' ' ' THR . 21.9 m-70 -101.46 -46.8 4.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.24 110.839 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.487 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.8 t -95.29 -30.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 71.41 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.24 -10.89 76.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 63.14 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 116' ' ' THR . . . 51.96 104.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 62.1 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.2 m 85.98 62.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.136 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.484 ' C ' ' O ' ' A' ' 116' ' ' THR . . . -30.73 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.092 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.19 -60.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 70.4 111.1 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -175.26 152.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.865 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.19 142.27 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 63.53 111.079 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.81 77.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.43 110.911 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 75.15 111.104 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.737 0.303 . . . . 75.22 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -105.52 -19.27 13.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 70.34 111.108 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.27 39.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 74.34 111.082 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ALA . 12.5 tt0 59.61 90.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 65.23 110.873 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.9 mm-40 -90.22 -157.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.841 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.09 28.87 4.01 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 74.13 112.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.443 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -107.73 175.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 72.22 111.115 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 25.5 m -51.76 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 64.54 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 20.3 mm -45.01 168.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.098 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.463 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -144.24 74.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 63.33 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 14.6 p -68.86 165.74 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 61.3 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 80.1 m80 -163.61 35.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.11 110.843 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' CD ' ' A' ' 16' ' ' GLU . 2.8 p-10 -171.14 20.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.45 110.895 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 65.17 -68.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.894 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -29.63 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.901 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.22 -43.51 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.848 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -49.43 -37.46 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 71.11 110.911 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.8 m-20 -66.41 -37.2 84.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.868 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.64 -21.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 64.53 111.111 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 -52.59 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 75.5 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.12 -18.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 64.42 110.878 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.49 -21.97 15.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.16 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -84.39 27.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.893 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.59 -46.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.071 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -40.19 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 74.22 110.844 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -87.98 -40.96 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.916 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 75.05 111.112 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.41 36.94 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 72.12 112.502 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' CD ' HG11 ' A' ' 61' ' ' VAL . 7.5 ptpt -136.79 155.55 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 75.21 110.884 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.1 t -67.6 163.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.31 111.108 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 25.2 t -114.84 144.36 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.127 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.586 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.6 mp -142.0 96.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.096 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.509 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.3 OUTLIER -95.31 131.24 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.113 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -107.2 92.8 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.856 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.72 ' CE2' ' CG2' ' A' ' 79' ' ' VAL . 45.7 m-85 -62.59 -164.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 63.23 110.832 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER 158.73 126.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 74.14 111.192 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -67.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.32 111.072 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.44 ' HB3' ' CD2' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -177.82 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 74.42 110.869 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.44 ' CD2' ' HB3' ' A' ' 38' ' ' SER . 1.2 m-90 -110.68 -43.79 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.17 92.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.898 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.43 140.53 2.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.477 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 73.5 112.334 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 40.94 42.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 71.35 110.847 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -163.21 -57.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 72.32 110.862 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -67.5 -42.3 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.651 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.2 tt -104.11 10.6 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.2 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.585 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -57.35 -54.65 52.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 73.24 111.092 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.82 4.31 2.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 74.4 112.38 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.585 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.4 t -98.83 -47.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.094 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 14.3 m-30 -65.06 -71.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -44.85 -47.53 11.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 70.12 111.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.7 pt-20 -63.9 -33.64 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.855 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.8 m-30 -68.44 -47.91 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.959 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -40.27 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 72.22 111.096 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 13.1 mtpp -76.36 -40.43 51.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.932 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -58.82 -24.96 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.944 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 109' ' ' ILE . 18.4 m-85 -116.72 87.61 22.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 74.22 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -6.24 18.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 72.4 112.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -89.57 19.47 40.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 60.11 112.536 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.586 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -148.87 168.45 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 63.3 111.111 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG11 ' CD ' ' A' ' 29' ' ' LYS . 35.3 m -101.13 -33.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.11 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 88.6 m-85 56.15 160.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 73.1 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER 160.79 147.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.921 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.499 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.15 134.71 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.863 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -125.9 165.18 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 62.12 111.15 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.468 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 28.0 t0 -110.64 119.86 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.477 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 15.3 m -83.02 33.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 75.44 111.102 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.45 -20.21 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.902 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 12' ' ' HIS . 14.0 pt-20 -115.45 -36.24 4.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -125.3 24.46 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.02 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.0 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.895 179.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.8 pt-20 -35.74 -28.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' LYS . 92.0 t -80.44 -45.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.31 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -62.49 -24.83 67.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.11 111.086 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.6 59.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.892 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.587 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -63.47 -35.79 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -95.85 -7.91 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.927 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.0 OUTLIER 66.06 72.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.41 110.882 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.72 ' CG2' ' CE2' ' A' ' 35' ' ' PHE . 87.1 t -89.41 -97.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.131 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER 156.2 -66.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.897 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 80' ' ' GLU . . . 164.45 41.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 61.3 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.519 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -138.13 170.18 11.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 75.24 110.867 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.7 Cg_endo -69.83 21.75 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 74.43 112.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.519 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -37.35 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 75.23 111.133 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -82.08 39.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.869 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -30.68 142.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 75.1 110.911 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 23.4 m-85 -120.81 149.18 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.25 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.578 HD13 ' CE1' ' A' ' 77' ' ' TYR . 7.3 mm -133.85 75.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 73.13 111.099 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -76.57 122.94 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.881 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.0 t0 81.9 -11.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.12 41.24 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 74.15 112.509 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.01 -85.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.308 . . . . 61.41 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -177.8 108.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.899 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -91.29 -31.03 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.073 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.14 179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 74.22 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.78 174.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.896 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.583 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 56.1 t -149.76 -100.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 74.51 111.139 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.583 ' CG2' ' O ' ' A' ' 97' ' ' VAL . 1.2 t 166.02 134.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 63.21 111.115 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.56 45.29 1.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 75.12 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.408 ' CB ' HH21 ' A' ' 101' ' ' ARG . . . -147.61 0.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 71.41 111.102 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.408 HH21 ' CB ' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -101.83 104.4 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.893 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.449 ' CB ' HD12 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -81.98 2.15 32.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.878 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.47 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 2.9 p30 -129.54 -10.02 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.858 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -104.33 -25.0 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.589 HD23 ' CE1' ' A' ' 50' ' ' PHE . 34.0 tp -70.46 -74.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.936 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.552 ' CD ' ' N ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.61 -20.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.921 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.504 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.2 OUTLIER -80.88 -33.29 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.898 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.572 HG22 ' CZ ' ' A' ' 87' ' ' PHE . 2.8 m -80.45 -36.42 33.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 75.14 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.568 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -65.99 -26.35 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.1 111.188 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 26.9 m -77.61 -31.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 72.05 111.103 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.487 ' N ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -78.36 -28.22 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.866 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.474 ' CD2' HG21 ' A' ' 108' ' ' THR . 20.7 m-70 -100.78 -47.95 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.512 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 5.0 t -94.46 -31.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 75.24 111.103 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -77.09 -22.54 70.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 72.13 112.471 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 53.73 14.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 63.22 111.084 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -133.01 -31.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.14 111.148 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.48 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 53.28 172.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 71.41 111.126 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.25 -56.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.086 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.5 99.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.88 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.04 115.93 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.099 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -74.05 83.72 1.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.866 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 72.44 111.087 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 2.3 ttm . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.81 0.338 . . . . 63.33 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -136.03 0.52 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 75.11 111.114 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.3 -19.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.123 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 2' ' ' ALA . 21.0 tt0 -176.42 87.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.44 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 2.1 mm-40 -93.41 -153.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.25 110.847 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.3 22.82 7.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 72.03 112.472 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -101.83 -178.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 72.54 111.123 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 32.0 m -51.43 94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 54.12 111.095 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 64' ' ' LYS . 39.8 mm -42.23 166.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.093 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.457 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -135.1 57.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 62.03 111.14 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.538 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -45.03 162.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.945 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -170.11 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 75.43 110.844 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.545 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 179.76 27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.911 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.84 -69.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.919 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -30.79 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.877 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.2 mt-10 -81.98 -42.5 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.889 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.29 -41.9 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.51 110.853 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.22 -43.17 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.914 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.15 -25.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.1 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -104.95 -51.52 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.11 110.917 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.32 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.6 -23.85 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 70.32 111.175 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -83.74 25.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.898 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -128.61 -41.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 73.34 111.102 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.58 -46.15 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.84 -46.35 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.858 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.1 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 63.12 111.095 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 36.04 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 74.15 112.514 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.13 158.99 31.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 73.12 110.879 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 0.9 OUTLIER -70.7 162.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.137 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.567 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 68.2 t -119.35 149.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -143.1 97.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.51 111.144 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.6 OUTLIER -98.3 128.4 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.105 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.576 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -99.67 86.61 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.867 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 79' ' ' VAL . 24.2 m-85 -60.21 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.896 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.0 OUTLIER 168.32 135.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.02 111.173 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -72.58 -78.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.4 111.071 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -169.21 -37.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.24 110.859 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -111.6 -31.63 6.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 75.32 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.13 113.99 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 75.25 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.63 113.4 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.692 -0.766 . . . . 71.23 112.447 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -50.69 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.638 2.226 . . . . 64.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m 42.79 43.22 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -152.09 -52.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.908 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -78.56 -41.25 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.653 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.91 9.95 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 75.45 111.118 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.35 -55.17 45.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 75.04 111.123 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.76 5.19 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 75.41 112.388 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.566 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 5.0 t -100.08 -47.94 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.23 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.653 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.6 m-30 -64.22 -71.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -45.39 -49.24 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 62.15 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -61.54 -33.91 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.909 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.1 m-30 -69.17 -45.04 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.903 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -43.15 -43.13 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.053 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 9.3 mtpp -80.04 -43.49 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 75.55 110.904 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -53.53 -29.52 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.912 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 109' ' ' ILE . 15.2 m-85 -111.76 89.2 10.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 74.11 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.88 17.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 74.45 112.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.521 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -90.81 17.89 52.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 72.13 112.48 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.589 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -146.36 167.78 22.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 72.22 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.476 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 16.9 m -101.29 -34.09 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 75.35 111.115 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 87.8 m-85 55.88 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.53 110.888 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.2 OUTLIER 164.36 150.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.887 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.524 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -126.09 128.26 47.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.839 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.07 167.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.24 111.141 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.438 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 30.2 t0 -113.0 123.55 50.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.855 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 37' ' ' ALA . 10.3 m -82.03 32.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -124.34 -20.18 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.35 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.94 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.54 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.7 pt? -130.03 24.43 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -33.46 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.889 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.8 pt-20 -38.03 -26.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' LYS . 59.5 t -82.63 -42.23 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.52 111.102 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -71.36 -24.07 62.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.158 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.85 -20.05 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.886 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -86.23 -31.59 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.909 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -94.12 -15.78 24.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 69.36 71.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 61.24 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.584 HG12 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -100.39 -32.08 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 71.23 111.156 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.6 OUTLIER 87.29 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.958 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 169.74 92.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.51 111.103 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.491 ' CE ' HG21 ' A' ' 79' ' ' VAL . 0.0 OUTLIER 176.88 165.51 0.47 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.564 0.697 . . . . 74.14 110.875 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.81 38.5 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.73 2.286 . . . . 73.05 112.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.473 ' N ' ' HG2' ' A' ' 82' ' ' MET . 0.7 OUTLIER -61.97 120.25 10.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.11 111.176 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.649 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -79.49 53.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 72.21 110.856 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -40.98 139.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 74.54 110.925 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.649 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 35.1 m-85 -116.94 146.18 43.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.3 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.525 HD12 ' CZ ' ' A' ' 77' ' ' TYR . 7.5 mm -131.32 75.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 71.22 111.117 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 12.2 ttmt -77.32 122.73 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.923 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t0 81.84 -9.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.87 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.97 43.39 2.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 52.42 112.483 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.14 -86.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 70.13 111.093 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -175.41 108.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -92.83 -31.89 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.01 111.093 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.3 m-20 157.04 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.887 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -125.81 -172.2 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.888 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.574 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 38.4 t -160.12 -95.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.144 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.22 141.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 64.24 111.091 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.67 45.02 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 75.13 112.453 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.431 ' C ' ' HD2' ' A' ' 101' ' ' ARG . . . -150.24 11.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 65.14 111.112 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 5.7 mpt_? -128.31 114.44 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 71.13 110.887 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.31 7.81 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.909 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 7.4 t70 -121.85 -9.02 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.919 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.78 -23.19 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.845 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.587 HD22 ' CE1' ' A' ' 50' ' ' PHE . 36.1 tp -74.7 -77.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.71 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -46.75 -20.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.941 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 3.6 t30 -78.64 -35.57 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.904 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.572 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 8.0 m -80.11 -42.01 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 71.13 111.164 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.573 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -60.96 -26.73 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.53 111.136 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 111' ' ' LYS . 34.1 m -78.92 -29.53 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.51 111.092 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -80.86 -28.76 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 75.33 110.882 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.518 ' CD2' HG23 ' A' ' 108' ' ' THR . 19.9 m-70 -100.34 -46.75 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 75.13 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.521 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.7 t -95.29 -31.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.119 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.51 -15.12 81.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 63.05 112.48 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 44.13 34.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 72.31 111.052 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 117' ' ' ALA . 22.6 p -156.93 -35.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 62.51 111.146 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 58.31 153.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 51.13 111.096 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.29 94.34 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.091 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m 40.78 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.893 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.28 149.78 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 65.5 111.046 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.33 32.89 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.825 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 65.54 111.073 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.331 . . . . 74.51 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -115.74 -19.31 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 71.21 111.079 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.32 42.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 53.41 111.077 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 60.1 93.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 75.11 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 3.7 mm-40 -91.04 -159.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.914 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.53 26.39 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 43.3 112.503 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -104.87 177.6 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 70.34 111.159 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' N ' ' CB ' ' A' ' 54' ' ' ALA . 31.8 m -49.61 97.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.119 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 13.2 mm -49.46 168.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -144.06 93.22 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.108 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.439 ' HB2' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -62.59 -179.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 71.42 110.891 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 179.59 28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.86 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 173.03 29.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.42 110.868 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.16 -70.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.932 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.72 -36.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.43 110.89 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -82.33 -43.24 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.907 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -54.5 -49.47 70.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.42 110.887 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.525 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -58.87 -33.32 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.86 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -47.66 -18.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.078 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -107.11 -54.07 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 54.51 110.873 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.457 ' HE3' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -47.84 -21.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -88.5 -30.74 19.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 72.04 111.109 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -81.93 24.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.897 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.83 -43.36 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 74.32 111.095 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -71.75 -39.17 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.938 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.13 -39.05 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.909 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.87 -30.2 70.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.55 111.093 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.42 38.15 7.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 73.01 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 8.8 ptpt -134.77 155.14 51.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 73.34 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -65.48 161.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.596 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 40.9 t -113.66 142.93 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.43 111.158 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.618 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 2.2 mp -141.17 96.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.41 111.136 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.06 127.71 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.31 111.099 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.614 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 12.4 t70 -101.57 88.18 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.11 110.873 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 79' ' ' VAL . 34.1 m-85 -61.3 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER 162.68 145.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 72.33 111.151 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.08 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 64.25 111.124 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -176.83 -31.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.35 110.844 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 22.5 p90 -126.43 -45.35 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 75.31 110.92 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 3.9 t -38.93 127.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.12 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.38 141.15 8.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.503 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -45.39 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 74.15 112.322 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 t 50.39 43.6 26.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 73.03 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -160.37 -51.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.896 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -75.54 -46.37 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 75.51 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 1.2 tt -92.33 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.62 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -47.95 -52.11 42.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 65.1 111.118 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.4 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 75.52 112.351 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.649 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -97.68 -41.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 74.55 111.103 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 19.2 m-30 -64.83 -73.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.03 110.88 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -45.4 -51.72 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.21 111.113 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 5.8 pt-20 -55.01 -39.23 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.649 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 13.0 m-30 -66.21 -48.93 69.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.934 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.54 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -40.38 -44.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.109 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 9.3 mtpp -81.83 -44.81 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -29.26 58.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.932 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.95 85.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 75.41 110.858 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 72.31 112.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' C ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 15.08 62.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 71.21 112.465 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.618 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -146.0 168.91 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 71.11 111.106 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.453 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 15.8 m -98.59 -34.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.153 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.54 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 76.2 m-85 56.35 159.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 159.07 148.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.891 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.33 50.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.867 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.479 ' CG2' ' CG2' ' A' ' 33' ' ' ILE . 75.0 t -120.14 152.81 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.14 111.129 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.494 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 26.0 t0 -111.38 112.12 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 75.54 110.853 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 35' ' ' PHE . 2.6 m -79.94 32.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -126.01 -12.73 6.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 74.03 110.836 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 12' ' ' HIS . 13.5 pt-20 -126.25 -31.48 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.876 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.8 pt? -131.57 24.0 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.23 -35.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.903 179.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -34.84 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.3 t -77.83 -47.58 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.184 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 73.15 111.091 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.21 -26.76 66.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.4 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.521 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -78.9 -33.43 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.904 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.4 m-85 -93.86 -17.81 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.945 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 72.93 72.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.45 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.562 HG11 ' CE2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -108.01 -28.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.42 111.109 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER 83.67 -70.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.55 110.888 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' C ' ' HG3' ' A' ' 82' ' ' MET . . . 172.09 60.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 73.45 111.108 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.528 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -140.47 164.17 38.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 63.41 110.882 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.78 19.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 74.14 112.352 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.8 OUTLIER -44.19 126.21 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 75.13 111.131 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.642 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -86.6 46.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.841 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -32.14 145.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 62.01 110.951 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 30.9 m-85 -124.39 139.42 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.828 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.572 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 9.8 mm -127.12 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 73.32 111.109 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 8.5 ttmt -75.28 123.8 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.14 110.9 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.9 t70 81.35 -15.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.61 42.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 64.25 112.461 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -144.35 -87.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 75.1 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.68 103.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.875 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.13 -34.72 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.1 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER 159.27 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 73.1 110.901 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.22 171.56 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 74.21 110.913 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 42.9 t -141.39 -97.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.13 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.97 128.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.143 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.39 46.09 2.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 74.12 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -157.41 16.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 61.43 111.065 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.425 ' HD3' ' CG1' ' A' ' 98' ' ' VAL . 9.5 mpt_? -126.19 115.02 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.51 110.861 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.571 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 0.2 OUTLIER -88.58 7.75 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.08 -10.47 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 72.12 110.886 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.57 -36.2 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 71.03 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.592 HD13 ' CD2' ' A' ' 85' ' ' PHE . 11.0 tp -66.04 -77.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.732 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -48.43 -18.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.888 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.486 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.8 m-80 -83.05 -32.37 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.84 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.568 HG23 ' CD2' ' A' ' 112' ' ' HIS . 19.3 m -80.04 -41.42 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.23 111.128 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.586 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.1 mp -57.73 -28.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 26.0 m -77.51 -26.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.189 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.471 ' N ' HG23 ' A' ' 110' ' ' VAL . 3.1 ptmt -84.12 -28.16 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.21 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.568 ' CD2' HG23 ' A' ' 108' ' ' THR . 20.2 m-70 -100.83 -47.79 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.854 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.455 HG13 ' C ' ' A' ' 59' ' ' GLY . 11.9 t -94.27 -30.66 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 75.21 111.161 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.77 -10.72 86.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 75.1 112.502 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.45 42.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.43 111.103 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -164.2 -34.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 64.11 111.117 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.86 174.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 65.22 111.094 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.6 -48.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.42 111.135 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -156.17 99.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.02 110.893 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.0 158.24 20.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 64.22 111.086 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.6 37.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.15 110.842 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 73.2 111.089 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ptt? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.745 0.307 . . . . 73.2 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 77.04 -72.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.109 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.25 48.01 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 71.31 111.12 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 62.15 107.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.926 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -110.25 -147.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 63.24 110.854 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.62 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 63.45 112.492 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -105.91 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 73.33 111.14 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.484 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 34.6 m -47.6 93.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 62.24 111.157 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.408 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 14.1 mm -43.05 167.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.131 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -136.24 80.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.113 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -64.65 159.27 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.895 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.6 t60 -165.43 37.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.858 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.579 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 176.94 25.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.866 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.72 -70.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 74.24 110.871 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.45 -37.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 72.42 110.854 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.03 -43.68 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.87 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.73 -40.15 62.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.885 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -66.28 -45.37 80.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 72.12 110.883 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' ASP . . . -36.86 -27.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.52 111.086 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' ASP . 16.5 mp0 -102.65 -44.51 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.914 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.599 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -51.98 -35.16 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.857 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.97 -19.49 25.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.129 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.21 23.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.02 110.887 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.603 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.51 -44.62 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 73.4 111.123 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -67.55 -45.62 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.912 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -42.29 61.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.862 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.75 36.21 12.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 53.21 112.533 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -129.54 157.41 42.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 63.05 110.88 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -68.99 163.04 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.14 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.603 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 24.5 t -116.95 147.84 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.04 111.142 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.581 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 4.0 mp -142.73 97.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.2 111.128 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -96.56 125.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 72.54 111.128 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.93 89.97 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.873 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 49.1 m-85 -60.24 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER 161.58 129.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.11 111.18 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.66 -71.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 73.53 111.074 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.66 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.833 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -131.91 -35.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.917 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -37.66 -39.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 73.53 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.66 136.32 15.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 74.21 112.473 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -51.32 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 73.44 112.343 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.51 43.14 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 63.43 110.86 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -60.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.45 -42.88 74.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.871 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.664 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -102.38 10.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.104 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.592 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.65 -54.23 55.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 65.21 111.107 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.74 5.76 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 71.21 112.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.536 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.1 t -101.53 -46.92 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.118 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.664 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.3 m-30 -64.83 -70.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.923 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.484 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -47.21 -50.21 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 74.13 111.058 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -58.85 -34.94 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 65.32 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.587 ' CD2' HD21 ' A' ' 105' ' ' LEU . 7.1 m-30 -69.52 -48.77 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 75.24 110.943 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.481 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -38.99 -45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 73.54 111.121 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -40.52 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.865 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -57.72 -28.24 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 74.23 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE1' HG23 ' A' ' 109' ' ' ILE . 19.3 m-85 -113.08 88.14 11.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 74.1 110.834 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.56 26.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 73.4 112.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.493 ' C ' HG11 ' A' ' 113' ' ' VAL . . . -87.06 18.7 34.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 52.31 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.581 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -147.06 163.67 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 74.04 111.082 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 24.7 m -94.02 -35.91 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 64.4 111.131 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 83.1 m-85 57.11 158.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 75.33 110.863 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER 160.01 147.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.927 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.1 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.916 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 66' ' ' ASP . 77.6 t -117.69 158.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.482 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 19.6 t70 -114.32 104.24 11.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.859 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.494 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 13.4 m -76.94 37.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -127.61 -22.29 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.21 110.859 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -121.08 -30.17 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 62.31 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.1 pt? -126.95 22.66 6.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.886 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.77 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.887 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.4 pt-20 -35.11 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.91 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' LYS . 65.0 t -78.6 -49.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 72.3 111.165 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -63.48 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 72.21 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.22 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -83.57 -33.84 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.898 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.618 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.3 m-85 -93.6 -15.49 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 70.3 110.904 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 63.4 66.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.681 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 1.4 m -89.21 -44.11 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.34 111.129 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.681 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER 98.86 26.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.914 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 82' ' ' MET . . . 63.25 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.43 111.103 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.518 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 171.75 168.99 0.22 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 72.01 110.92 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.79 37.97 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 75.15 112.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.485 ' OG1' ' CE ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -62.27 121.29 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.23 111.117 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.1 m-85 -80.36 40.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.893 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -31.81 144.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 74.12 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 32.4 m-85 -122.88 143.41 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.854 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.618 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 12.7 mm -129.51 74.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.14 111.137 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 7.8 ttmm -77.62 122.97 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.91 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.4 t0 83.25 -7.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.809 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.44 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 61.15 112.471 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.25 -86.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 74.04 111.098 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -177.99 104.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -86.43 -32.91 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 71.33 111.106 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 160.08 179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.4 172.05 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.928 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.564 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 55.2 t -145.2 -100.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.4 111.123 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.564 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 167.38 145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 72.51 111.134 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.68 49.87 2.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 52.11 112.473 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -154.11 15.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 63.34 111.107 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -128.71 114.86 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 13.17 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.55 110.909 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.9 -3.45 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 64.25 110.875 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.04 -32.07 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.863 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 53' ' ' TYR . 8.7 tp -64.66 -74.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 64.42 110.922 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.504 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.83 -30.66 6.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.95 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.4 t30 -69.75 -31.48 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.87 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.564 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 23.4 m -82.66 -43.44 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 63.55 111.144 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -60.11 -26.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.52 111.1 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 111' ' ' LYS . 33.2 m -78.76 -29.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.143 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -80.69 -26.99 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.854 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.48 ' CE1' ' CG ' ' A' ' 111' ' ' LYS . 20.6 m-70 -103.12 -47.57 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 74.14 110.865 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.493 HG11 ' C ' ' A' ' 59' ' ' GLY . 2.8 t -93.99 -29.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.155 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.37 -14.41 81.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 70.44 112.478 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.3 42.57 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 73.31 111.113 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 m -165.48 -35.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.25 111.114 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.423 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 55.0 -170.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.101 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -104.77 -80.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.02 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.0 t -160.33 130.84 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.871 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.96 -179.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 75.21 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.2 p -100.22 -49.67 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.51 111.092 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 74.12 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -117.57 -16.94 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 75.15 111.121 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.7 41.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.42 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 59.06 90.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.925 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.74 -158.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 71.21 110.89 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.24 27.31 3.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 52.23 112.454 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 9' ' ' ILE . 1.3 m -109.51 178.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 62.42 111.168 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 15.8 m -44.15 92.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.5 111.116 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' VAL . 46.2 mm -38.16 158.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.51 111.15 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 11' ' ' CYS . . . -120.6 73.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.073 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' HB2' ' CD1' ' A' ' 63' ' ' LEU . 38.3 t -47.62 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.911 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 7.4 m80 63.72 27.15 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.864 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ASP . 19.2 t30 -160.97 11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.2 110.899 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.582 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 59.71 -73.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.843 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -30.5 -37.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.852 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -80.77 -43.1 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.12 110.863 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.91 -42.26 47.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.89 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.6 m-20 -68.15 -35.91 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.79 67.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 73.41 111.072 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.41 -50.6 6.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.901 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.424 ' N ' ' HE1' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.04 -26.7 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.01 110.856 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -91.81 -21.42 20.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 61.23 111.133 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -83.16 20.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.33 -44.91 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 72.0 111.123 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -65.33 -42.26 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.05 110.881 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -85.88 -41.26 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 75.34 110.912 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.69 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 64.35 111.113 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.98 35.57 8.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 62.53 112.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 9.3 ptpt -134.65 161.14 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.43 110.895 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -72.54 161.84 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.129 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.59 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.5 t -112.55 144.67 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.31 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.59 ' CG2' ' CD2' ' A' ' 85' ' ' PHE . 3.6 mp -142.18 97.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.499 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.97 122.55 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.123 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.672 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -97.88 93.52 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.891 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.578 ' CE2' HG13 ' A' ' 79' ' ' VAL . 36.6 m-85 -63.89 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.862 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER 159.08 137.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 74.31 111.104 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.15 -69.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 73.13 111.109 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -179.34 -48.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.01 110.886 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -97.88 -44.26 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 75.12 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.2 p -51.6 171.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.3 110.855 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.92 139.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 75.52 112.53 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -51.39 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 53.14 112.323 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.88 44.25 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.863 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 -164.71 -55.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.841 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.33 -42.49 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.655 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 3.1 tt -102.98 10.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 64.45 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.583 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.84 -54.66 51.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 71.1 111.111 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 75.53 112.362 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.557 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.9 t -101.93 -47.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.105 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.655 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.8 m-30 -63.06 -69.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.42 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -49.04 -47.78 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 73.31 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -63.61 -32.0 73.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 65.05 110.929 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.557 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.4 m-30 -72.7 -44.24 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.943 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' HA ' ' CG ' ' A' ' 62' ' ' PHE . . . -42.47 -42.68 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 74.54 111.136 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 16.0 mtpp -78.17 -41.57 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.88 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -54.89 -28.31 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.921 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.589 ' CE1' HG21 ' A' ' 109' ' ' ILE . 13.6 m-85 -113.22 87.92 11.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.742 . . . . 73.44 110.899 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.95 13.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.647 2.231 . . . . 65.33 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -92.32 20.09 45.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.462 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.583 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.23 164.37 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 42.32 111.09 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.444 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 28.8 m -93.42 -37.18 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.488 ' CG ' ' HA ' ' A' ' 54' ' ' ALA . 81.6 m-85 58.74 145.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 64.43 110.891 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 176.98 146.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.94 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.508 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.07 126.29 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.89 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' CG1' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.35 173.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.14 111.145 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.528 ' HB2' ' CD2' ' A' ' 12' ' ' HIS . 28.6 t70 -118.88 121.05 39.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.93 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 17.9 m -82.76 30.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 72.25 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.94 -22.99 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 64.33 110.912 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 12' ' ' HIS . 12.4 pt-20 -115.12 -37.94 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 64.2 110.857 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -120.48 22.87 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.901 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.28 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.921 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pt-20 -35.55 -28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.909 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 17' ' ' PHE . 70.0 t -79.69 -46.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 72.44 111.079 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -65.55 -29.41 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 75.52 111.144 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.67 -21.82 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.578 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.75 -37.53 35.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 75.54 110.902 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.658 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 20.4 m-85 -91.73 -14.91 29.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 61.52 69.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 75.25 110.905 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.578 HG13 ' CE2' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.52 -96.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 73.32 111.125 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER 154.2 37.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.92 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . 51.09 63.85 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.053 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.519 ' HE3' ' N ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -154.25 171.08 7.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 74.32 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.509 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.74 18.91 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 73.51 112.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -43.75 127.82 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.149 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.672 ' CE1' ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.14 55.75 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.869 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' CD2' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -45.44 142.74 2.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 64.42 110.916 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 37.8 m-85 -120.52 145.93 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.863 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.658 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 10.5 mm -132.0 75.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.33 111.1 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.2 ttpp -76.63 122.36 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.899 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.32 -18.07 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.54 43.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 72.25 112.522 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -146.97 -87.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 63.12 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -174.5 105.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -87.79 -31.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.52 111.107 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 3.2 m-20 157.23 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.842 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.484 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.17 -169.33 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 70.34 110.918 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.594 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 35.7 t -161.37 -96.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.177 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.594 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 156.46 124.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 72.01 111.075 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.19 43.72 2.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 74.24 112.503 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.14 12.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 63.44 111.156 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -126.07 114.54 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.914 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 3.3 tmtt? -84.64 7.61 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.891 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 25.7 t0 -124.87 -8.92 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.881 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.22 -21.49 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 75.3 110.875 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 50' ' ' PHE . 23.5 tp -74.79 -75.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.91 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.674 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -48.29 -24.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.906 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.4 m-80 -74.0 -35.57 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' CZ ' ' A' ' 87' ' ' PHE . 8.0 m -79.72 -43.42 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.589 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -59.4 -27.14 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 71.23 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 111' ' ' LYS . 30.3 m -78.39 -28.66 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 70.2 111.079 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.509 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -82.0 -29.19 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.882 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.554 ' CD2' HG21 ' A' ' 108' ' ' THR . 22.8 m-70 -99.68 -47.62 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.831 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.512 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.5 t -94.48 -30.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.129 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.46 -11.35 85.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 74.15 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.81 38.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 71.02 111.093 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.7 m -158.75 -35.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 74.44 111.157 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 53.5 93.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 51.02 111.068 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -37.81 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 55.03 111.081 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.9 p -145.17 140.51 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 75.21 110.849 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.29 165.55 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 64.53 111.098 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -172.79 88.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 72.22 110.88 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 72.31 111.039 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' ALA . 3.0 mpp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.799 0.333 . . . . 74.01 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 1' ' ' MET . . . 34.55 -107.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.32 111.132 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.93 12.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.111 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.8 57.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.42 110.927 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.1 -146.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 54.11 110.896 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.68 17.07 9.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.14 112.521 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.462 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -102.38 175.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 73.33 111.118 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 51' ' ' ALA . 34.1 m -50.24 94.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 37.8 mm -42.41 166.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.14 111.088 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.456 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -135.4 74.69 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 63.43 111.121 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -64.47 161.5 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 73.15 110.929 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 77.7 m-70 -167.23 34.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.856 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.497 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.09 25.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.862 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 65.35 -68.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 73.01 110.925 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -28.76 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.82 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.4 mt-10 -80.61 -43.53 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 71.12 110.883 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.35 -42.08 61.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.851 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.636 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.56 -46.64 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.55 110.909 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.57 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.099 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -100.41 -53.28 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.92 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.23 -19.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 73.11 110.893 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.443 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.46 -21.85 14.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 74.43 111.119 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.2 mttt -84.22 26.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.12 110.855 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -132.42 -42.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 74.32 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.87 -39.75 87.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 75.52 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.66 -40.82 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.879 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.32 -26.38 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 73.13 111.102 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.07 35.02 10.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 71.4 112.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -125.8 169.8 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 73.14 110.896 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.515 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -81.79 161.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.05 111.098 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 38.6 t -116.25 146.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 63.42 111.146 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.681 ' CG2' ' CD2' ' A' ' 85' ' ' PHE . 3.8 mp -142.27 97.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.04 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.493 HD11 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -97.26 133.03 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.132 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -109.18 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 62.35 110.859 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CE2' HG12 ' A' ' 79' ' ' VAL . 59.5 m-85 -69.04 -161.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 71.33 110.877 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER 163.13 121.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.171 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . . . -58.92 -53.33 59.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 75.34 111.112 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.14 -53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.841 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' A' ' 37' ' ' ALA . 44.2 p90 -71.5 -45.7 61.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.941 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t 65.43 145.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 75.35 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.71 -97.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 54.13 112.458 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 54.0 Cg_endo -69.72 -90.86 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 63.02 112.347 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' PRO . 1.7 t 80.44 -4.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.916 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -130.57 -34.5 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.853 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -79.58 -40.9 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.659 ' CG2' ' CE2' ' A' ' 50' ' ' PHE . 5.1 tt -103.42 9.4 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 74.15 111.12 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.62 -55.19 45.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 61.54 111.142 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 72.41 112.353 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 2.6 t -100.5 -48.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 75.14 111.167 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.659 ' CE2' ' CG2' ' A' ' 46' ' ' ILE . 23.7 m-85 -62.64 -71.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.03 110.832 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.477 ' N ' HG22 ' A' ' 8' ' ' VAL . . . -46.47 -50.9 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.1 pt-20 -60.37 -33.87 73.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 71.5 110.926 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.3 m-30 -70.36 -43.59 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.939 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -44.95 -43.02 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 73.21 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 12.0 mtpp -78.85 -42.76 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.902 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -54.9 -28.29 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 73.22 110.917 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.1 m-85 -113.06 88.69 12.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.652 0.739 . . . . 73.1 110.841 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -4.39 13.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 74.03 112.385 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.525 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -91.71 20.4 42.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 73.13 112.517 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.602 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.42 169.1 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 73.32 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 34.6 m -102.68 -34.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 75.35 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 85.5 m-85 56.12 161.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 75.02 110.85 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER 161.83 147.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 74.53 110.928 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.22 133.95 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.5 110.882 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -127.98 168.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.107 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 11.6 t0 -114.01 120.61 41.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 37' ' ' ALA . 11.8 m -79.2 38.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.54 111.11 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 66' ' ' ASP . 24.0 t0 -128.71 -17.83 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.829 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -120.11 -32.23 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.903 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -126.19 25.05 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.41 110.952 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -34.44 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.891 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.6 pt-20 -43.04 -22.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 17' ' ' PHE . 46.1 t -93.53 -29.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 63.2 111.085 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -83.17 -7.81 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 64.35 111.098 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -104.23 -21.0 13.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.64 ' CD ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -82.81 -23.97 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.874 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' A' ' 76' ' ' LYS . 17.0 m-85 -101.45 -23.09 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.885 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 5.3 t-20 82.46 73.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.873 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 0.8 OUTLIER -102.41 -32.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 75.24 111.125 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER 89.73 -74.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 71.44 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 82' ' ' MET . . . 172.64 86.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 71.21 111.082 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.559 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 177.01 167.84 0.45 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.725 . . . . 75.22 110.859 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 82' ' ' MET . 54.0 Cg_endo -69.73 40.03 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 72.5 112.385 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.48 ' OG1' ' SD ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -54.56 126.85 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 72.34 111.112 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -83.19 39.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.916 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -32.35 143.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 74.4 110.884 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.2 m-85 -121.81 148.28 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.87 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.563 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 7.7 mm -131.77 72.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 5.5 ttmm -75.16 122.97 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.6 t70 82.87 -10.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.831 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.74 41.61 2.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 73.51 112.482 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.45 -85.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 75.32 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -176.09 111.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.928 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -96.11 -29.96 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 44.05 111.106 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 158.72 179.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.849 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.62 170.16 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.32 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.553 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 54.0 t -141.76 -100.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 75.13 111.132 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.553 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 165.2 138.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.197 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.51 48.6 4.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 62.22 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -158.87 17.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 74.35 111.101 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -128.48 100.38 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 74.14 110.867 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -75.7 4.46 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 71.15 110.876 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -121.83 -7.29 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.854 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.2 -15.79 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 11.4 tp -76.09 -76.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.69 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -49.11 -29.77 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.921 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -67.21 -32.54 73.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.901 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.563 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 11.8 m -83.72 -43.16 15.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 71.43 111.171 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -59.83 -26.95 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 74.52 111.165 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.495 HG21 ' N ' ' A' ' 111' ' ' LYS . 34.9 m -78.13 -31.26 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 71.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.495 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -78.77 -29.59 45.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.913 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.499 ' CD2' HG21 ' A' ' 108' ' ' THR . 22.2 m-70 -99.59 -47.78 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.525 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.8 t -94.25 -30.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 70.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.8 -12.36 83.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 74.2 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.11 25.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 71.21 111.125 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 114' ' ' GLY . 83.8 m -144.16 -35.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.138 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 57.24 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.52 111.094 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -130.98 81.57 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.3 111.09 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 m 51.43 43.75 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.884 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.89 146.18 25.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 71.44 111.092 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.6 m -134.96 89.07 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.918 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.34 111.137 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 71.21 110.911 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 4' ' ' GLU . . . 69.93 0.57 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 72.44 111.087 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.91 -8.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.54 111.102 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 2' ' ' ALA . 65.6 tt0 -176.41 78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.24 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.9 mm-40 -90.07 -157.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 54.14 110.911 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.65 16.52 14.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 63.54 112.53 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -96.41 179.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 75.43 111.135 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' CG2' ' HA ' ' A' ' 51' ' ' ALA . 26.8 m -48.79 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 10' ' ' ALA . 43.7 mm -41.13 164.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.35 111.179 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.471 ' N ' ' CG2' ' A' ' 9' ' ' ILE . . . -134.3 87.03 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 70.22 111.092 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.506 ' HB3' ' N ' ' A' ' 17' ' ' PHE . 60.2 m -103.02 118.6 37.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.874 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -125.84 43.98 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.03 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 8.0 t30 -160.36 18.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.922 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 63.24 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.91 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -34.43 -34.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.887 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -88.65 -37.87 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 73.45 110.859 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.05 -34.91 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.88 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.511 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -66.78 -32.3 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 73.41 110.885 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -18.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.43 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' CD ' HG13 ' A' ' 9' ' ' ILE . 2.3 mp0 -109.13 -54.53 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.498 ' CE ' HG13 ' A' ' 31' ' ' VAL . 2.5 tpp -48.76 -20.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.457 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -95.51 -27.22 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.21 111.115 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -74.46 9.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -108.44 -44.14 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.113 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.883 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.06 -44.21 48.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.914 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.21 -22.12 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.04 111.115 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.71 37.24 20.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 44.54 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -122.31 164.31 18.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 74.11 110.928 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.536 ' CG1' ' N ' ' A' ' 31' ' ' VAL . 1.1 t -75.78 159.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.34 111.16 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.622 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 70.8 t -118.7 145.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.33 111.131 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.527 HG21 ' CD1' ' A' ' 85' ' ' PHE . 4.3 mp -135.86 99.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.52 111.145 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -97.55 120.55 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 72.42 111.126 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -92.46 90.17 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 71.35 110.877 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.605 ' CD2' HG13 ' A' ' 79' ' ' VAL . 18.8 m-85 -64.71 -167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.432 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.2 OUTLIER 163.22 128.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 71.24 111.107 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -59.56 -54.38 47.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.14 111.095 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 t 161.23 -36.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.827 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.427 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 27.3 p90 -115.41 -45.3 2.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 73.53 110.922 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 3.1 t -57.31 129.32 41.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.91 139.84 5.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 73.51 112.501 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.631 2.22 . . . . 74.54 112.313 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.69 46.86 14.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.841 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -167.75 -51.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.877 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.23 -43.43 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.656 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.4 tt -103.43 10.04 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 74.54 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.581 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.12 -54.66 50.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 74.25 111.082 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 6.39 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 75.54 112.355 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.562 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.7 t -102.54 -48.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 72.21 111.117 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 14.0 m-30 -61.91 -69.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -49.53 -49.82 44.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.114 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -60.98 -29.24 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.847 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.6 m-30 -75.61 -45.9 34.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.898 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -40.62 -40.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 61.42 111.109 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 12.2 mtpp -80.51 -43.65 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.908 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -49.4 -33.89 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 75.32 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE2' HG22 ' A' ' 109' ' ' ILE . 16.0 m-85 -108.49 90.36 7.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 54.34 110.873 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.72 8.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.659 2.239 . . . . 74.12 112.342 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.544 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -95.6 19.88 52.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 71.33 112.498 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HB1' ' CD1' ' A' ' 32' ' ' ILE . . . -147.6 163.02 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 73.4 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 4.3 m -97.66 -29.07 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.53 111.131 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.513 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 83.5 m-85 53.55 167.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.922 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 1.2 tp 159.3 152.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -132.8 126.77 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.893 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -123.71 -176.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.01 111.115 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.466 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 4.4 t0 -126.61 124.39 39.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 74.53 110.868 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 14.7 m -84.2 31.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.133 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -123.15 -15.78 7.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.862 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -120.51 -34.8 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.5 pt? -127.58 23.96 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.931 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.75 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.932 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.7 pt-20 -36.54 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 46.8 t -81.15 -43.83 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 65.42 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -70.52 -27.65 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 70.2 111.06 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -24.85 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 73.41 110.912 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.525 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.61 -32.99 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.923 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.8 m-85 -92.83 -15.36 26.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.969 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 68.41 69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.876 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.605 HG13 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -98.52 -28.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.131 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.552 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.2 mm-40 87.31 -73.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 64.53 110.859 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 169.09 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.02 111.108 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.485 ' HG2' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 175.84 166.28 0.41 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 75.11 110.887 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.79 37.64 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 51.45 112.361 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.485 ' N ' ' HG2' ' A' ' 82' ' ' MET . 0.6 OUTLIER -61.74 121.33 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.115 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -77.93 44.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.925 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -33.42 141.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.15 110.906 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 24.6 m-85 -119.8 151.11 39.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.587 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 5.3 mm -137.76 77.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 5.0 ttpt -77.38 121.76 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.909 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.1 t70 83.08 -16.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.891 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.95 41.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 63.13 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.15 -86.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 73.55 111.085 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -178.5 106.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 73.42 110.911 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.21 -31.74 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.23 111.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.6 m-20 157.51 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 70.21 110.894 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.51 172.54 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 62.04 110.891 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 37.7 t -142.36 -96.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.143 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.566 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.19 143.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.115 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.28 48.73 2.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 72.14 112.479 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.44 ' C ' ' HD2' ' A' ' 101' ' ' ARG . . . -155.97 15.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 75.44 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 1.7 mpt_? -127.57 115.78 19.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.79 11.69 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.871 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.12 -1.81 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.53 110.885 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -115.12 -34.48 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.556 HD22 ' CE1' ' A' ' 50' ' ' PHE . 12.7 tp -60.05 -72.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 70.23 110.943 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -52.53 -18.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.912 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.416 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.9 OUTLIER -78.06 -34.19 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.862 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 87' ' ' PHE . 1.8 m -82.54 -37.15 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.51 111.096 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.2 mp -63.71 -23.4 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 62.43 111.17 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.496 HG21 ' N ' ' A' ' 111' ' ' LYS . 24.3 m -82.06 -26.66 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 65.13 111.106 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.496 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.1 OUTLIER -83.77 -28.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.889 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.569 ' CD2' HG23 ' A' ' 108' ' ' THR . 19.7 m-70 -100.66 -47.12 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 73.04 110.882 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.544 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.3 t -94.56 -30.94 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 74.24 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.94 -19.03 78.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 71.52 112.538 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 50.24 18.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 63.51 111.089 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.52 -34.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 72.02 111.171 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 54.88 175.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.23 111.081 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -110.51 -52.02 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.52 111.079 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.1 m -149.58 167.04 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.866 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.53 39.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.22 111.088 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.1 t -48.88 -46.38 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 71.24 110.836 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.135 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.78 0.324 . . . . 74.01 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -162.98 -33.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 65.35 111.09 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.29 37.67 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.1 111.077 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 61.42 86.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 75.11 110.907 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.3 mm-40 -85.52 -160.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.887 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.89 28.09 3.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 74.15 112.497 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -107.45 176.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 74.44 111.118 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 34.5 m -48.2 94.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 72.13 111.142 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 17.9 mm -42.58 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 71.43 111.129 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -146.76 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 71.2 111.134 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 19.7 p -71.49 -173.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.913 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 2.5 p-80 -179.84 29.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 75.55 110.887 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.97 19.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.867 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 68.46 -66.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.91 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -27.39 -42.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 65.43 110.862 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -81.84 -44.71 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.889 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.581 ' CE2' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -49.09 -43.24 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.879 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.523 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.41 -33.61 76.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.877 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.34 -28.18 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 75.41 111.109 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 -53.01 4.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.943 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.477 ' HE3' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.28 -34.35 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.849 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -83.72 -24.72 31.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 71.22 111.13 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -82.18 26.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.14 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.495 ' CB ' HG21 ' A' ' 31' ' ' VAL . . . -127.64 -51.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 64.43 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -47.11 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.88 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.7 -41.9 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 74.25 110.89 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.15 -28.17 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.132 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.56 31.06 11.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.491 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -124.17 170.07 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 75.33 110.912 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -84.14 160.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.04 111.1 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG21 ' CB ' ' A' ' 24' ' ' ALA . 49.0 t -112.11 145.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.31 111.182 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.5 mp -141.73 98.78 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.41 111.174 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.509 HD13 ' CG1' ' A' ' 88' ' ' ILE . 0.8 OUTLIER -100.28 128.63 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.31 111.104 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -104.24 92.07 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 63.34 110.899 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' CD2' HG12 ' A' ' 79' ' ' VAL . 37.0 m-85 -62.91 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.876 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER 159.73 121.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 73.42 111.184 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' CB ' ' CG2' ' A' ' 67' ' ' VAL . . . -111.5 -74.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.43 111.078 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.47 ' C ' ' HE3' ' A' ' 39' ' ' TRP . 24.9 p -150.83 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.826 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.47 ' HE3' ' C ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -77.43 37.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.908 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.433 ' H ' ' C ' ' A' ' 38' ' ' SER . 6.1 p -70.76 157.48 37.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 65.51 110.852 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.24 -119.85 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 73.22 112.482 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 53.3 Cg_endo -69.83 -61.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 64.33 112.357 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 42' ' ' PRO . 0.9 OUTLIER 80.56 -24.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.889 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' H ' ' C ' ' A' ' 42' ' ' PRO . 0.4 OUTLIER -114.82 -35.2 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.911 -179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.12 -46.17 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.15 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.648 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 4.9 tt -97.39 6.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.084 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.564 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -54.21 -55.08 40.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 75.0 111.119 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -1.47 8.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 70.01 112.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' CE2' ' A' ' 53' ' ' TYR . 2.8 t -93.5 -43.28 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.03 111.096 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.648 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 15.3 m-30 -67.2 -70.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' HA ' ' CG2' ' A' ' 8' ' ' VAL . . . -45.41 -48.58 13.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 60.24 111.106 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 48' ' ' PRO . 8.0 pt-20 -61.19 -35.3 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.859 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.575 ' CE2' HG12 ' A' ' 49' ' ' VAL . 9.1 m-30 -69.56 -44.88 69.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.894 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -42.33 -44.83 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.113 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 14.2 mtpp -76.97 -41.55 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 75.31 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -56.99 -24.36 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 74.24 110.875 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.5 m-85 -117.08 88.99 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 74.1 110.875 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.87 29.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 74.43 112.347 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -86.31 21.77 15.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 73.23 112.516 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.605 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -150.16 167.63 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 72.34 111.04 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.491 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 6.2 m -100.06 -36.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.43 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 90.8 m-85 57.55 153.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.869 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 168.73 148.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.946 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.54 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.88 132.35 54.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.911 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -128.52 158.63 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 75.3 111.133 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.424 ' HB3' ' CD ' ' A' ' 69' ' ' GLU . 15.9 t0 -105.41 123.91 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.884 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' CG2' ' CB ' ' A' ' 37' ' ' ALA . 15.3 m -82.87 35.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 73.11 111.15 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -125.95 -21.7 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.882 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 1.5 pt-20 -113.73 -36.13 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.887 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt? -126.59 22.94 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.29 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 72.51 110.893 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pt-20 -35.5 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 70.22 110.908 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 17' ' ' PHE . 81.0 t -79.29 -46.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.55 111.103 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -68.0 -24.33 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.39 -24.3 60.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.884 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -81.42 -33.62 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.86 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.535 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.8 m-85 -91.9 -14.72 29.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 73.02 110.946 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 68.94 71.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 71.03 110.885 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.573 HG12 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -104.05 -25.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.01 111.128 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.543 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 2.2 mm-40 86.78 -71.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.907 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.465 ' C ' ' HG3' ' A' ' 82' ' ' MET . . . 169.82 59.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 72.12 111.079 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.526 ' C ' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -142.66 167.85 15.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.701 . . . . 74.01 110.858 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.7 Cg_endo -69.75 22.26 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 53.32 112.368 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.526 ' H ' ' C ' ' A' ' 82' ' ' MET . 0.9 OUTLIER -43.53 127.71 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.077 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -88.7 45.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.486 ' C ' ' O ' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -31.26 146.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.919 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 33.2 m-85 -126.0 139.95 53.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.509 ' CG1' HD13 ' A' ' 33' ' ' ILE . 7.3 mm -127.71 76.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.143 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.5 ttmt -79.33 121.89 25.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.897 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 84.12 -13.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.858 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.34 45.37 1.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 73.23 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.407 ' C ' HG23 ' A' ' 88' ' ' ILE . . . -147.98 -87.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 72.14 111.107 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -177.52 102.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.21 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -85.03 -34.62 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.065 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 87' ' ' PHE . 1.5 m-20 159.62 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.855 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 171.9 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 74.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.554 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 42.1 t -141.7 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.111 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.554 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.12 131.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 65.45 111.1 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.59 46.17 2.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 63.51 112.435 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -159.43 18.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 61.53 111.077 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.413 ' HD3' ' CG1' ' A' ' 98' ' ' VAL . 1.2 mpt_? -123.87 100.94 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 74.01 110.881 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 7.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -129.17 -5.44 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.0 110.887 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -112.85 -19.0 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 55.42 110.835 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 50' ' ' PHE . 33.3 tp -80.67 -72.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.901 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.674 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.84 -16.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 75.11 110.918 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.479 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 7.3 t30 -85.26 -30.14 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 11.0 m -83.08 -40.41 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.106 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -61.27 -24.69 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 75.04 111.196 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 107' ' ' ASN . 34.3 m -78.6 -29.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 74.23 111.106 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.473 ' N ' HG21 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.58 -27.74 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.907 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.51 ' CD2' HG23 ' A' ' 108' ' ' THR . 21.1 m-70 -101.35 -46.71 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.829 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.506 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.5 t -95.97 -29.5 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 73.32 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.2 -12.18 83.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 63.23 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.502 ' O ' ' CG2' ' A' ' 116' ' ' THR . . . 46.15 20.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 72.22 111.105 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 115' ' ' ALA . 18.3 p -165.19 53.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.176 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.474 ' C ' ' O ' ' A' ' 116' ' ' THR . . . -32.2 -54.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.41 111.1 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.33 85.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 73.3 111.068 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 t -171.96 145.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 41.01 110.836 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -93.7 137.27 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 54.42 111.153 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.08 108.09 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 71.04 110.877 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.22 111.098 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.737 0.303 . . . . 72.12 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' HB3' ' CG ' ' A' ' 5' ' ' GLU . . . -104.45 -108.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 73.02 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.66 11.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 62.31 111.114 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -178.92 55.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.43 110.844 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.408 ' CG ' ' HB3' ' A' ' 2' ' ' ALA . 1.5 mm-40 -93.34 -147.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.898 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.5 19.73 5.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 73.1 112.482 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -103.19 177.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 72.11 111.16 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 29.3 m -53.06 95.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 73.24 111.089 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.44 ' CG2' ' H ' ' A' ' 10' ' ' ALA . 23.8 mm -44.27 168.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' H ' ' CG2' ' A' ' 9' ' ' ILE . . . -143.57 81.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.02 111.068 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.0 -179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 178.98 28.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.853 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.6 p-10 174.56 27.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.9 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.7 OUTLIER 63.94 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.895 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -29.84 -40.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.844 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -79.46 -42.21 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.916 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.27 -39.17 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.927 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -69.09 -32.51 71.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.89 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.19 -16.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 72.04 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -106.22 -52.64 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.895 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.44 -24.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.867 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.63 -25.06 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.125 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -83.55 27.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.875 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.31 -44.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 73.2 111.11 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -40.05 80.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 73.23 110.898 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.1 -43.28 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.897 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.06 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.54 111.127 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.46 35.8 7.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.507 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 7.7 ptpt -134.15 155.44 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 72.03 110.958 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -67.59 163.49 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 65.01 111.108 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 50.8 t -114.47 144.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.589 ' CD1' ' CB ' ' A' ' 60' ' ' ALA . 3.6 mp -142.01 97.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.096 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.505 HD12 ' CG1' ' A' ' 88' ' ' ILE . 0.5 OUTLIER -99.28 125.4 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 70.25 111.156 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -103.02 96.71 6.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.892 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.599 ' CD1' HG13 ' A' ' 65' ' ' VAL . 50.4 m-85 -61.3 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.89 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER 158.44 123.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 64.3 111.119 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.73 -55.9 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 71.42 111.08 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -169.75 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 70.33 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.89 -36.89 27.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 74.33 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 t 53.65 33.91 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.53 -122.86 30.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 53.12 112.481 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' ARG . 54.2 Cg_endo -69.69 -45.03 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 74.33 112.34 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 t 42.02 25.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.842 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 42' ' ' PRO . 1.3 mtt-85 -156.61 -37.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.04 110.872 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -79.53 -40.84 28.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.839 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.652 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 3.8 tt -105.04 9.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 75.25 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -56.7 -54.89 48.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.544 0.688 . . . . 63.12 111.095 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.8 4.25 2.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 70.11 112.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.571 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 4.2 t -98.74 -48.6 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.111 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.652 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 13.9 m-30 -63.33 -72.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 74.53 110.849 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.476 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -44.9 -48.23 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 62.11 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -64.29 -31.49 72.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 75.33 110.86 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.6 m-30 -70.64 -46.32 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.887 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -41.24 -44.36 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 72.3 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 15.8 mtpp -76.78 -41.29 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.935 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -55.65 -28.29 54.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.31 110.873 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.581 ' CE1' HG21 ' A' ' 109' ' ' ILE . 16.3 m-85 -114.48 89.19 17.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 75.44 110.881 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -6.15 17.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.43 112.337 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.512 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -90.01 19.68 40.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 71.34 112.505 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.589 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -149.88 162.67 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 74.32 111.077 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 27.2 m -94.78 -33.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 72.1 111.149 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 63' ' ' LEU . 83.5 m-85 56.25 160.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 161.03 150.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 74.31 110.917 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.554 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -118.36 131.85 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.42 110.924 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.599 HG13 ' CD1' ' A' ' 35' ' ' PHE . 2.5 p -119.19 149.76 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 64.41 111.154 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 9.9 t0 -101.87 120.47 40.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 71.54 110.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.483 ' CG1' ' CD1' ' A' ' 35' ' ' PHE . 15.7 m -88.13 37.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 74.14 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -131.01 -24.19 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 54.31 110.819 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG3' HD21 ' A' ' 70' ' ' LEU . 2.0 pp20? -114.15 -35.05 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.909 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.61 ' O ' ' N ' ' A' ' 72' ' ' GLU . 1.4 pt? -125.63 26.59 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.34 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -31.67 -30.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.22 110.906 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -38.58 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.856 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 17' ' ' PHE . 19.0 t -86.96 -36.69 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.11 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -74.07 -11.4 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.096 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.56 -20.41 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.538 ' CG ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.14 -27.88 35.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.857 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-30 -99.44 -14.79 18.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 5.9 t-20 66.66 68.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.21 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.579 ' O ' ' CB ' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -91.26 -85.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 75.1 111.116 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.579 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.5 OUTLIER 154.24 -59.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 74.11 110.911 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 80' ' ' GLU . . . 157.59 45.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.12 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.553 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -139.91 173.3 5.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 75.22 110.882 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.553 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.74 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.248 . . . . 72.51 112.377 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.514 ' H ' ' C ' ' A' ' 82' ' ' MET . 1.0 OUTLIER -37.23 123.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.149 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -86.75 64.22 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 64.42 110.887 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -51.64 145.57 8.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.867 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 42.6 m-85 -123.51 135.48 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.856 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 77' ' ' TYR . 7.1 mm -121.74 76.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.14 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 2.2 ttpt -77.86 121.44 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 74.53 110.908 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 8.1 t0 84.62 -17.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 63.03 110.816 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.26 44.52 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.713 . . . . 70.02 112.484 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.34 -86.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 73.22 111.087 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -174.23 106.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.889 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -89.27 -30.51 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 63.02 111.134 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 156.82 -178.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.31 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.504 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.11 -170.43 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.914 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.573 ' CG1' ' N ' ' A' ' 98' ' ' VAL . 41.5 t -162.48 -98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.573 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.74 125.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.139 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.22 48.1 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.498 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -152.23 13.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.01 111.119 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -127.51 113.96 16.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 62.41 110.827 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.19 4.53 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 18.0 t70 -123.09 -7.52 8.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.83 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.77 -23.47 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.869 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.558 HD23 ' CE1' ' A' ' 50' ' ' PHE . 23.7 tp -74.35 -77.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 75.53 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.644 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -46.21 -24.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.939 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.496 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 1.5 m-80 -75.2 -36.34 61.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 54.22 110.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.586 HG23 ' CZ ' ' A' ' 87' ' ' PHE . 11.5 m -79.11 -37.52 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.196 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.581 HG21 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -65.22 -26.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.11 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 111' ' ' LYS . 33.0 m -79.03 -28.63 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.097 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.5 ' N ' HG22 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -81.6 -26.17 35.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.842 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.461 ' CD2' HG22 ' A' ' 108' ' ' THR . 25.3 m-70 -103.59 -47.8 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.3 110.895 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.512 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 3.8 t -94.12 -30.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.4 -11.0 85.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 74.41 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.56 34.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 64.34 111.072 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.0 p -157.34 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.134 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.439 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 64.78 -75.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 61.33 111.115 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 73.79 82.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 64.24 111.12 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.3 p -179.88 146.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 63.12 110.892 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 58.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.113 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 m 52.04 -92.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.8 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 71.21 111.086 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' ALA . 4.9 mmt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.801 0.334 . . . . 74.12 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 58.17 118.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 51.41 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.51 6.47 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 51.2 111.137 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -179.36 57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.875 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.25 -147.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.871 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.73 22.14 5.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 54.51 112.491 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.77 176.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 74.25 111.138 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 33.9 m -50.56 96.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 111.135 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 64' ' ' LYS . 32.8 mm -42.2 166.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -145.98 75.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 63.12 111.068 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.48 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 17.0 p -75.65 -168.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 73.03 110.863 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 175.09 30.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.839 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.88 21.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 61.15 110.866 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.591 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER 67.24 -68.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.89 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -24.76 -46.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.899 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -80.62 -44.22 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.879 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -50.56 -41.99 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.88 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -64.74 -37.69 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 71.51 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.82 -22.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.137 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.69 -51.3 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 72.14 110.897 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.491 ' CA ' ' HE1' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.4 -17.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.865 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.55 -20.87 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.182 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -82.79 20.5 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.925 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.52 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -68.01 -47.15 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.54 110.873 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -43.59 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 72.22 110.901 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.42 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.89 30.73 22.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 72.22 112.517 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD3' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.04 148.91 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 70.22 110.929 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG11 ' N ' ' A' ' 31' ' ' VAL . 1.2 t -64.36 162.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 72.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.521 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 39.8 t -114.82 152.61 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 73.53 111.16 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.661 ' CG2' ' CD2' ' A' ' 85' ' ' PHE . 4.5 mp -144.69 94.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.132 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -92.68 121.02 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.094 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -100.78 92.64 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.852 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.635 ' O ' ' CB ' ' A' ' 36' ' ' THR . 54.2 m-85 -65.74 -165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.635 ' CB ' ' O ' ' A' ' 35' ' ' PHE . 1.7 t 147.15 130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.168 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 67' ' ' VAL . . . 164.33 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.23 111.089 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 3.2 t -32.11 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 70.05 110.818 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -163.56 -31.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.908 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 39' ' ' TRP . 18.1 p 178.26 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 75.52 110.899 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' N ' ' SG ' ' A' ' 40' ' ' CYS . . . -178.0 140.57 4.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 61.14 112.48 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' ARG . 54.1 Cg_endo -69.72 -53.41 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.756 2.304 . . . . 73.31 112.343 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' PRO . 1.8 t 32.32 35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.854 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' PRO . 2.8 mtt180 -131.08 -50.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -76.18 -45.78 31.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.649 ' CG2' ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -104.33 9.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.118 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -55.32 -55.34 40.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 73.22 111.066 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.2 Cg_endo -69.71 4.5 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.718 2.279 . . . . 73.45 112.365 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.6 t -100.48 -48.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 71.35 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.649 ' CZ ' ' CG2' ' A' ' 46' ' ' ILE . 12.8 m-30 -61.71 -71.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.822 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.47 ' N ' HG21 ' A' ' 8' ' ' VAL . . . -47.21 -51.06 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 75.43 111.072 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.7 pt-20 -59.69 -30.77 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.1 m-30 -73.54 -47.45 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.933 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.525 ' HA ' ' CD1' ' A' ' 62' ' ' PHE . . . -40.49 -42.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 70.52 111.103 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 12.8 mtpp -77.77 -39.95 42.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -55.4 -31.34 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.93 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.24 90.19 9.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 75.02 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.2 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 75.42 112.348 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' C ' ' CG1' ' A' ' 113' ' ' VAL . . . -95.96 21.45 44.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.485 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.526 ' CB ' ' CD1' ' A' ' 32' ' ' ILE . . . -146.74 163.79 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 74.25 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 15.0 m -96.85 -35.09 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 65.45 111.157 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.525 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 91.5 m-85 57.02 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 60.45 110.935 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' HG ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 164.17 149.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.902 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.556 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.18 133.64 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.55 110.856 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' CG1' ' CG2' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -132.99 160.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 75.21 111.116 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -109.28 119.42 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.581 HG11 ' CD1' ' A' ' 35' ' ' PHE . 11.5 m -76.84 36.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 66' ' ' ASP . 33.7 t0 -128.08 -21.97 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -109.84 -38.98 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.02 110.871 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -127.65 21.71 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.41 110.899 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.85 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.847 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.2 pt-20 -34.7 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 60.22 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 63.1 t -78.34 -47.12 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 75.42 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -62.35 -32.14 72.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 75.31 111.089 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.55 -26.28 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -75.97 -29.6 58.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.91 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.591 ' CE1' ' CD1' ' A' ' 88' ' ' ILE . 21.3 m-85 -95.83 -24.33 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.45 110.912 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 6.4 t-20 80.93 64.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 74.24 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.556 HG12 ' CE2' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -92.95 -23.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 64.05 111.099 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER 85.88 -71.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.912 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' C ' ' HB2' ' A' ' 38' ' ' SER . . . 167.69 94.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.22 111.059 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.533 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 170.85 171.0 0.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 64.1 110.916 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.4 Cg_endo -69.75 37.67 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 74.51 112.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.487 ' N ' ' HG2' ' A' ' 82' ' ' MET . 0.9 OUTLIER -55.63 129.56 39.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.124 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.702 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -86.13 41.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.881 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -33.97 146.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.52 110.914 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.639 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.9 m-85 -123.61 156.53 35.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' A' ' 77' ' ' TYR . 4.0 mm -142.25 80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 75.54 111.148 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 90' ' ' ASP . 3.6 ttpt -81.28 120.36 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.933 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 6.1 t0 82.88 -9.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.832 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.9 43.26 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 61.15 112.459 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.54 -90.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.315 . . . . 54.22 111.09 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -174.66 99.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.876 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 95' ' ' ASP . . . -79.96 -35.79 37.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.061 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 87' ' ' PHE . 4.3 m-20 161.26 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.851 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 171.82 13.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.908 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.566 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 65.0 t -144.39 -101.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 74.22 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.566 ' CG2' ' O ' ' A' ' 97' ' ' VAL . 1.2 t 169.22 139.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.179 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -87.45 42.84 3.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 64.1 112.468 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -150.38 12.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.308 . . . . 73.22 111.108 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.18 116.89 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.887 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -92.86 13.77 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.43 110.934 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.95 -3.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.22 -30.92 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 10.0 tp -61.64 -72.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 75.25 110.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -48.73 -34.91 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.913 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.02 -29.34 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.541 HG21 ' CZ ' ' A' ' 87' ' ' PHE . 16.4 m -84.23 -44.49 13.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.53 111.147 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.1 mp -58.6 -25.89 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.516 HG22 ' N ' ' A' ' 111' ' ' LYS . 30.4 m -79.28 -29.09 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.52 111.159 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.516 ' N ' HG22 ' A' ' 110' ' ' VAL . 2.0 ptmt -81.25 -27.68 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 71.43 110.867 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.466 ' CD2' HG23 ' A' ' 108' ' ' THR . 23.1 m-70 -101.73 -47.46 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.12 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.485 ' CG1' ' C ' ' A' ' 59' ' ' GLY . 2.7 t -94.7 -30.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 74.55 111.129 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.03 -10.15 86.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 42.5 112.48 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.22 41.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 73.32 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -162.42 -34.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.44 111.131 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' HA ' ' CG2' ' A' ' 110' ' ' VAL . . . 52.43 175.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 72.44 111.116 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -129.77 -51.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.44 111.094 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 t -149.84 163.26 38.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 51.51 110.909 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.19 139.83 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.53 88.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 64.52 110.901 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.01 111.06 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.935 0.398 . . . . 63.520000000000003 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.27 31.35 3.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 44.43 112.468 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -109.83 -178.45 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 74.140000000000001 111.118 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 28.4 m -52.95 95.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.109999999999999 111.16 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.0 mm -43.39 168.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -138.73 60.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -47.48 159.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.230000000000004 110.843 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 10' ' ' ALA . 87.1 m-70 -165.26 36.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.519999999999996 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.3 p-10 -178.77 26.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 42.549999999999997 110.873 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.663 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.9 -69.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.904 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.61 -46.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.87 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -39.71 66.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 62.210000000000001 110.883 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.31 -39.83 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 55.240000000000002 110.891 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.574 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.51 -40.6 80.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 64.219999999999999 110.871 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.87 -22.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 42.32 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LYS . 17.6 mp0 -105.24 -54.34 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 62.509999999999998 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -46.31 -25.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.888 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.07 -25.21 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 111.106 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.5 mttm -82.86 22.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.230000000000004 110.883 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.08 -45.74 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.420000000000002 111.078 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -42.14 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 73.230000000000004 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -86.89 -39.41 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 64.030000000000001 110.872 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -64.34 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 111.078 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 36.26 7.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 54.020000000000003 112.432 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.5 ptpt -136.32 157.37 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 65.129999999999995 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.31 163.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 71.239999999999995 111.118 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.594 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -113.36 143.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.129999999999995 111.126 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.878 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.3 mp -141.32 97.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 60.140000000000001 111.128 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -99.05 128.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 71.219999999999999 111.111 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 4.3 t0 -101.85 89.06 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 110.828 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.634 ' C ' HG22 ' A' ' 36' ' ' THR . 32.3 m-85 -61.73 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 55.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.859 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.109999999999999 111.12 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.804 0.335 . . . . 71.420000000000002 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.6 -43.12 85.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.349999999999994 110.871 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.09 8.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 63.530000000000001 111.115 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.669 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -55.94 -55.2 43.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 70.439999999999998 111.091 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.669 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.74 4.23 2.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 62.240000000000002 112.372 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.8 t -98.78 -49.08 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 63.539999999999999 111.092 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.7 m-30 -63.16 -71.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 54.340000000000003 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.03 -48.98 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 64.010000000000005 111.079 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -63.25 -31.45 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 75.420000000000002 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -70.83 -44.99 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.911 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.18 -43.42 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 63.229999999999997 111.087 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.924 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.3 mtpp -78.65 -42.06 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 6.8 mtmt -54.01 -27.42 31.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 64.349999999999994 110.872 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.2 m-85 -115.27 90.3 23.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.209999999999994 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.56 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 72.450000000000003 112.348 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.802 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.43 20.07 43.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 33.43 112.485 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.902 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.51 164.64 34.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 32.329999999999998 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HD2' ' A' ' 29' ' ' LYS . 30.7 m -97.38 -36.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 61.020000000000003 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.902 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.0 m-85 58.31 152.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.85 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.936 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 170.48 149.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 110.96 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.665 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.1 133.36 53.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 62.140000000000001 110.889 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -127.92 167.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 53.240000000000002 111.118 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.3 t0 -113.77 122.3 46.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.836 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 36' ' ' THR . 6.2 m -82.56 34.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.150000000000006 111.138 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 -18.36 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.150000000000006 110.886 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -118.68 -32.56 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.61 23.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.329999999999998 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.67 -34.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 110.949 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -36.13 -28.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 70.340000000000003 110.873 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 70' ' ' LEU . 28.4 t -78.16 -44.79 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.140000000000001 111.104 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -68.31 -33.18 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 111.111 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.06 -23.36 66.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 70.319999999999993 110.854 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -80.22 -32.62 38.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.530000000000001 110.895 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.552 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-85 -96.35 -16.0 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.219999999999999 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 75.120000000000005 110.887 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.478 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.544 0.688 . . . . 74.209999999999994 110.903 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.5 Cg_endo -69.82 36.31 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.641 2.227 . . . . 65.409999999999997 112.331 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.621 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -58.88 120.28 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 111.118 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -81.78 40.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.12 142.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 64.129999999999995 110.946 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.2 m-85 -118.62 155.01 31.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.049999999999997 110.907 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -139.34 74.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.099999999999994 111.144 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.725 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 11.3 ttmt -76.68 123.55 26.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.010000000000005 110.874 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 1.9 t70 81.49 -6.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.349999999999994 110.871 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.97 43.2 3.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 75.329999999999998 112.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.67 -86.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 42.140000000000001 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -177.6 103.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 70.109999999999999 110.913 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.48 -33.92 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 51.210000000000001 111.12 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.18 179.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 110.86 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -133.38 170.1 15.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.937 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 34.3 t -141.44 -95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.409999999999997 111.135 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 159.32 144.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 111.124 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -91.9 49.23 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 63.109999999999999 112.47 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.537 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.5 14.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 74.019999999999996 111.112 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 7.8 mpt_? -127.0 110.43 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.838 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -83.06 7.2 16.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 62.399999999999999 110.91 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -126.59 -8.21 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 65.230000000000004 110.851 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.74 -18.86 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.4 tp -78.72 -75.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.229999999999997 110.951 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.773 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.86 -18.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.299999999999997 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.707 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.9 t30 -80.24 -33.75 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.88 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.628 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.3 m -81.6 -40.54 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.239999999999995 111.146 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -60.86 -26.44 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.430000000000007 111.151 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.5 m -78.24 -29.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 111.153 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.39 -27.9 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.340000000000003 110.919 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.79 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.8 m170 -101.29 -47.9 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.827 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.802 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -93.99 -31.45 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 50.509999999999998 111.112 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.52 72.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 62.140000000000001 112.525 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 63.450000000000003 111.054 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.905 0.383 . . . . 73.349999999999994 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 27.51 4.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 71.510000000000005 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -107.43 178.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 75.209999999999994 111.131 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 51' ' ' ALA . 32.6 m -50.89 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.349999999999994 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 10' ' ' ALA . 22.6 mm -42.36 167.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 111.145 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -140.73 79.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 61.109999999999999 111.104 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 26.3 p -68.29 177.42 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.896 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 27.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 110.851 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -174.8 27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.898 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.83 ' H ' HD13 ' A' ' 70' ' ' LEU . 3.6 ttmt 66.59 -67.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 64.219999999999999 110.894 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -27.32 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 61.240000000000002 110.891 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -81.75 -44.13 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.895 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.91 -35.78 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 64.519999999999996 110.882 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.607 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.3 -45.46 69.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.420000000000002 110.852 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.93 -23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 111.08 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' NE2' HG13 ' A' ' 9' ' ' ILE . 2.0 mp0 -104.85 -51.08 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.864 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.95 -31.08 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 110.917 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -92.13 -19.89 21.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 64.120000000000005 111.18 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.84 23.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.040000000000006 110.882 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.5 -51.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 65.519999999999996 111.037 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -60.03 -51.0 71.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.329999999999998 110.851 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.7 -44.96 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.439999999999998 110.924 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.588 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.7 -26.63 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 62.299999999999997 111.105 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.65 34.18 16.83 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.695 -0.764 . . . . 33.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -127.2 161.18 29.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 71.209999999999994 110.904 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -74.02 161.4 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.420000000000002 111.132 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 53.1 t -116.48 150.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 111.09 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.41 94.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 73.099999999999994 111.102 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.833 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -95.65 127.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 111.111 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.76 93.62 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.099999999999994 110.851 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' HG22 ' A' ' 36' ' ' THR . 31.4 m-85 -64.65 -167.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.010000000000005 110.838 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 64.5 111.201 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.836 0.351 . . . . 74.549999999999997 110.811 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -68.24 -42.3 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 65.230000000000004 110.927 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.0 tt -104.02 10.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 71.519999999999996 111.121 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.49 -54.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 55.140000000000001 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 3.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.200000000000003 112.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.655 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.3 t -98.24 -48.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.0 m-30 -63.98 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 53.439999999999998 110.865 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.848 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -43.89 -49.29 8.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 65.219999999999999 111.077 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -62.71 -33.44 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 73.099999999999994 110.857 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.655 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-30 -69.16 -44.8 71.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 110.913 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.82 -43.03 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 63.43 111.128 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.981 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.0 mtpp -78.96 -42.96 25.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 64.239999999999995 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -54.15 -25.29 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.86 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 14.3 m-85 -117.73 89.07 32.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 74.519999999999996 110.866 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.07 17.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 63.409999999999997 112.344 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.76 19.81 42.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 74.530000000000001 112.517 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.903 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.88 168.1 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.010000000000005 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.651 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.1 m -101.16 -34.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 52.310000000000002 111.113 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.903 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 55.93 161.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 60.340000000000003 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.833 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.22 147.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.692 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -116.26 132.29 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 64.420000000000002 110.909 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.812 ' CG2' HD21 ' A' ' 70' ' ' LEU . 14.7 p -121.97 161.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 61.210000000000001 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 t0 -116.26 113.02 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.86 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 67' ' ' VAL . 2.6 m -78.63 39.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.32 111.153 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.92 -21.62 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.851 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -115.64 -35.31 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.937 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.83 HD13 ' H ' ' A' ' 14' ' ' LYS . 1.9 pt? -126.99 24.83 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 70.030000000000001 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.040000000000006 110.93 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 pt-20 -33.56 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -74.51 -47.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 65.310000000000002 111.107 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.8 -24.52 66.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 70.439999999999998 111.099 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.84 -19.43 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 64.420000000000002 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -86.67 -29.18 22.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.230000000000004 110.86 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.7 m-30 -98.71 -14.99 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.450000000000003 110.916 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.909 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.54 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.572 0.701 . . . . 72.129999999999995 110.881 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.79 21.3 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.319999999999993 112.371 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -46.11 128.76 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 65.030000000000001 111.138 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -89.1 43.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 72.519999999999996 110.892 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.58 140.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 27.7 m-85 -120.33 143.68 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.140000000000001 110.862 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.764 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -128.7 82.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 62.409999999999997 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.917 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -83.89 122.56 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.430000000000007 110.904 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.8 t70 82.4 -10.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 70.299999999999997 110.848 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.23 48.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 64.430000000000007 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -153.0 -85.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 33.420000000000002 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -176.34 107.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.875 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.95 -32.51 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 54.119999999999997 111.102 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.0 m-20 157.83 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 71.129999999999995 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.87 -176.05 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.832 HG12 ' N ' ' A' ' 98' ' ' VAL . 30.2 t -155.88 -94.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 62.140000000000001 111.116 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.832 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 160.04 133.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.069 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -85.71 45.91 3.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 74.200000000000003 112.463 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.538 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.48 18.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 74.450000000000003 111.102 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -128.58 115.35 17.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 65.340000000000003 110.894 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 8.84 20.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.109999999999999 110.882 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.425 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 30.3 t70 -124.83 -10.96 7.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.420000000000002 110.872 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.487 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -107.02 -21.7 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 71.319999999999993 110.914 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 109' ' ' ILE . 30.3 tp -77.41 -76.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.79 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.38 -20.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.099999999999994 110.93 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.98 -34.47 33.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.420000000000002 110.874 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.541 HG23 ' CE1' ' A' ' 112' ' ' HIS . 20.8 m -80.1 -41.07 26.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 71.120000000000005 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.16 -26.78 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.400000000000006 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.5 m -78.84 -28.69 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 45.43 111.148 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -81.3 -28.6 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 65.230000000000004 110.9 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.758 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.7 m170 -100.97 -45.0 5.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -97.0 -30.38 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.43 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.46 -11.64 68.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 54.219999999999999 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 73.219999999999999 111.106 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.845 0.355 . . . . 60.439999999999998 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.3 26.91 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.409999999999997 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 175.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 70.209999999999994 111.119 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.5 m -50.34 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.549999999999997 111.103 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.619 HG22 ' N ' ' A' ' 10' ' ' ALA . 21.4 mm -46.2 167.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 62.509999999999998 111.153 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.23 83.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.109999999999999 111.125 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 23.3 p -67.37 179.42 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.866 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 5.2 m80 -177.15 37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 71.430000000000007 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 176.57 24.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.89 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 66.88 -67.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 110.873 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -27.95 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.874 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -80.12 -44.44 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.862 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.11 -35.82 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.865 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 2.3 m-20 -73.2 -33.72 65.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.24 -22.62 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.18 -51.7 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.36 -19.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 61.149999999999999 110.878 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.11 -19.09 15.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 62.409999999999997 111.202 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.42 19.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 71.030000000000001 110.898 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.672 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.26 -45.78 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.120000000000005 111.132 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -62.69 -48.63 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.22 -47.37 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.409999999999997 110.868 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -64.19 -27.48 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 64.409999999999997 111.11 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.4 35.73 11.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 60.140000000000001 112.516 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.789 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -128.0 158.29 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 71.450000000000003 110.925 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -70.13 161.94 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 75.129999999999995 111.144 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.672 HG23 ' CB ' ' A' ' 24' ' ' ALA . 19.9 t -116.9 149.03 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 65.310000000000002 111.142 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.26 95.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 111.152 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -94.98 129.78 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.31 92.81 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.855 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 43.4 m-85 -65.97 -167.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.933 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 111.145 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.836 0.35 . . . . 71.129999999999995 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -69.93 -42.35 73.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 71.409999999999997 110.885 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.784 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 tt -105.92 10.95 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.79 -55.79 41.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 61.539999999999999 111.107 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.75 4.98 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 72.209999999999994 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.707 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 11.4 t -99.2 -48.66 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.7 m-30 -63.66 -72.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.340000000000003 110.862 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.1 -48.86 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 111.115 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.54 -33.41 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 72.109999999999999 110.916 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.707 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.8 m-30 -69.2 -46.01 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 73.040000000000006 110.923 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.81 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.77 -44.06 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 53.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.89 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.0 mtpp -77.13 -43.21 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.6 mtmt -54.7 -25.52 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.200000000000003 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.6 m-85 -117.08 87.75 24.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.74 . . . . 72.140000000000001 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.91 14.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 60.240000000000002 112.403 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.76 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 18.84 51.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 70.239999999999995 112.497 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.851 ' HB1' ' CD1' ' A' ' 32' ' ' ILE . . . -145.31 171.31 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 74.129999999999995 111.129 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.789 HG12 ' HD3' ' A' ' 29' ' ' LYS . 10.6 m -104.02 -34.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.010000000000005 111.129 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.1 m-85 55.96 160.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.92 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.77 147.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 73.409999999999997 110.921 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.21 135.88 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.219999999999999 110.909 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.2 165.66 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.530000000000001 111.148 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 t0 -114.58 115.73 27.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 60.130000000000003 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 36' ' ' THR . 4.3 m -80.13 38.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 53.450000000000003 111.072 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -128.93 -22.29 3.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 110.852 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' OE2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.82 -33.0 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.891 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -128.41 20.73 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 110.885 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 110.892 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.5 pt-20 -34.33 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 71' ' ' LYS . 76.4 t -76.36 -46.74 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 64.349999999999994 111.087 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -64.58 -33.06 75.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 51.240000000000002 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.98 -24.5 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 61.329999999999998 110.911 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.44 -31.61 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.319999999999993 110.885 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.9 m-85 -98.51 -14.72 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 110.897 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 74.230000000000004 110.929 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.526 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.618 0.723 . . . . 64.299999999999997 110.859 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 54.1 Cg_endo -69.76 22.66 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.234 . . . . 53.340000000000003 112.41 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.1 128.24 5.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 111.193 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.645 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -88.71 40.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.140000000000001 110.911 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.51 142.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.519999999999996 110.899 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 19.9 m-85 -120.02 152.78 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 4.8 mm -137.71 77.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.140000000000001 111.16 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttpt -78.56 123.73 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.120000000000005 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.1 t0 81.61 -12.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 65.310000000000002 110.89 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.0 44.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.25 112.524 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.73 -87.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 45.340000000000003 111.131 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -175.72 107.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 54.32 110.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -90.85 -32.52 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 62.32 111.129 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.69 178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.853 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.21 174.47 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.874 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 98' ' ' VAL . 50.1 t -146.53 -98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 111.13 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 166.92 135.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 63.0 111.099 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.23 43.42 3.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 63.310000000000002 112.512 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.33 14.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.318 . . . . 72.340000000000003 111.084 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -123.46 113.0 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 61.43 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.4 4.65 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 110.911 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 14.4 t70 -125.92 -7.9 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.891 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -108.82 -18.46 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 110.865 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 50' ' ' PHE . 35.0 tp -80.34 -75.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.109999999999999 110.949 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.739 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.85 -19.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.319999999999993 110.916 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -79.46 -34.55 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.150000000000006 110.881 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.596 HG23 ' CE1' ' A' ' 112' ' ' HIS . 2.6 m -80.52 -38.05 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.230000000000004 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -63.34 -26.27 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 63.409999999999997 111.077 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.0 m -79.13 -30.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.082 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.523 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -79.09 -28.2 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.409999999999997 110.873 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.787 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.7 m170 -101.51 -47.2 4.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 72.230000000000004 110.816 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.6 t -94.51 -30.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.240000000000002 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.68 -17.72 74.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 52.109999999999999 112.446 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 50.450000000000003 111.103 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 73.209999999999994 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.57 30.5 4.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 71.400000000000006 112.521 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.944 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.4 m -110.04 -179.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 71.319999999999993 111.132 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.829 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 26.9 m -51.8 95.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 43.219999999999999 111.146 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 10' ' ' ALA . 30.2 mm -42.06 165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.138 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.624 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -135.94 60.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 111.123 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 160.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.842 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -167.1 35.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.430000000000007 110.84 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER 178.1 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.510000000000005 110.914 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.62 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.907 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.34 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 61.439999999999998 110.899 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.19 -42.64 20.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 71.219999999999999 110.86 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.38 -39.38 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.853 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.6 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -68.74 -39.27 80.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 64.340000000000003 110.88 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ASP . 1.2 mp0 -107.22 -52.15 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.86 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.57 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.97 -25.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.150000000000006 110.861 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.64 -23.13 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 65.450000000000003 111.122 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.2 mttm -84.19 27.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.540000000000006 110.829 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.89 -45.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.310000000000002 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.898 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.14 -39.9 15.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 71.439999999999998 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 -30.28 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.48 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 42.520000000000003 112.536 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -133.24 158.99 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 65.299999999999997 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.774 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -71.36 160.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 65.120000000000005 111.141 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.2 t -113.0 146.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.111 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.87 96.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.18 127.53 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.549999999999997 111.167 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t70 -102.43 84.69 2.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' C ' HG22 ' A' ' 36' ' ' THR . 29.6 m-85 -56.22 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 110.919 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 111.096 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 64.530000000000001 110.888 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CG ' ' A' ' 44' ' ' ARG . 81.6 t80 -56.27 -42.4 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.843 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.29 10.97 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 111.118 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.21 -54.8 50.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 73.120000000000005 111.088 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.78 4.82 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 75.430000000000007 112.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.5 t -99.55 -48.46 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.25 111.069 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.23 -71.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.530000000000001 110.86 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -49.27 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.109999999999999 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.15 -32.68 73.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.350000000000001 110.875 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -69.91 -45.91 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 110.907 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.88 -43.8 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 52.030000000000001 111.066 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.4 mtpp -78.32 -42.24 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.8 mtmt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.040000000000006 110.906 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.9 m-85 -110.45 89.1 8.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 72.430000000000007 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.8 10.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 73.140000000000001 112.345 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.762 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.01 19.11 54.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 45.420000000000002 112.514 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.37 163.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 24.449999999999999 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 28.2 m -95.55 -37.37 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 65.239999999999995 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.925 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.9 m-85 58.93 150.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.885 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.6 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 175.4 151.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.030000000000001 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.48 127.69 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.340000000000003 110.89 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -123.81 166.56 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.039999999999999 111.138 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.804 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.8 t0 -110.45 120.6 42.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 74' ' ' ALA . 21.9 m -82.58 34.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.230000000000004 111.079 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.86 -19.26 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 54.43 110.848 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.554 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 8.8 pt-20 -117.06 -33.09 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.230000000000004 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.25 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.938 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.3 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.879 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.5 pm0 -35.88 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 74.109999999999999 110.917 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 17' ' ' PHE . 57.7 t -79.75 -44.97 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 62.450000000000003 111.091 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -69.15 -35.28 76.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 45.539999999999999 111.125 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.72 -26.57 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.299999999999997 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.66 -34.03 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.049999999999997 110.874 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.5 m-85 -93.52 -13.12 28.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.400000000000006 110.927 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.299999999999997 110.874 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.537 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.514 0.673 . . . . 75.340000000000003 110.9 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.71 21.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.721 2.281 . . . . 62.229999999999997 112.346 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.77 128.75 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 64.030000000000001 111.155 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -86.35 38.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.7 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.55 143.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.209999999999994 110.921 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -120.75 157.21 30.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.039999999999999 110.836 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.799 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -142.03 75.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.140000000000001 111.118 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttpt -77.34 122.01 24.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.903 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 83.69 -13.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.887 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.55 42.94 1.92 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 74.340000000000003 112.504 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.68 -88.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.31 . . . . 54.210000000000001 111.086 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.43 104.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.200000000000003 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.91 -33.48 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 45.219999999999999 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.05 179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.310000000000002 110.862 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.682 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.47 171.78 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.796 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.5 t -142.83 -95.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 75.219999999999999 111.118 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.796 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.17 131.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 111.17 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.08 43.68 2.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 71.209999999999994 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.37 14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 74.219999999999999 111.069 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.3 mpt_? -124.65 113.86 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.230000000000004 110.878 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.81 11.96 16.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.925 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.87 -4.21 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 52.240000000000002 110.855 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -112.63 -34.92 5.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 62.030000000000001 110.904 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.577 HD22 ' CE1' ' A' ' 50' ' ' PHE . 12.8 tp -60.75 -70.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.946 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.829 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -51.76 -22.75 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 62.229999999999997 110.891 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.0 OUTLIER -75.92 -30.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.43 110.91 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.601 HG23 ' CE1' ' A' ' 112' ' ' HIS . 1.5 m -84.43 -40.72 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 111.145 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.72 -24.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.010000000000005 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.1 m -79.6 -28.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 111.116 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 1.3 ptmt -81.7 -28.22 33.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.450000000000003 110.89 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.774 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.6 m170 -100.37 -48.51 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 110.856 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 59' ' ' GLY . 4.1 t -94.24 -30.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -77.97 -9.29 87.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 60.109999999999999 112.479 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 61.240000000000002 111.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.873 0.368 . . . . 73.019999999999996 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.3 24.53 3.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 74.230000000000004 112.497 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.935 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -108.44 177.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 73.239999999999995 111.131 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 51' ' ' ALA . 24.9 m -51.41 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 52.210000000000001 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.653 HG22 ' N ' ' A' ' 10' ' ' ALA . 35.7 mm -42.99 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.530000000000001 111.15 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.653 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.36 58.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 111.078 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.575 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.89 162.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.420000000000002 110.882 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 9.1 p80 -169.62 33.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.310000000000002 110.875 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.0 p-10 -174.75 25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 53.100000000000001 110.852 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.93 -70.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.329999999999998 110.917 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -28.99 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.875 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.3 mt-10 -79.54 -43.56 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.827 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.07 -39.45 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.851 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -66.86 -45.0 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.49 -24.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 111.098 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.9 mp0 -101.13 -57.61 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.329999999999998 110.907 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.592 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.67 -21.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.409999999999997 110.906 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -95.61 -26.91 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.130000000000003 111.14 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.1 mttt -82.5 22.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.239999999999995 110.899 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -120.96 -46.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.340000000000003 111.077 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -38.57 86.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 73.239999999999995 110.874 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -89.28 -41.53 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.882 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.23 35.6 6.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 63.149999999999999 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.3 ptpt -136.48 155.17 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 62.409999999999997 110.865 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.18 163.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.150000000000006 111.152 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.609 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -114.37 146.67 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 63.25 111.114 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.852 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.5 96.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.092 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.26 126.77 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 44.039999999999999 111.145 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t0 -100.28 91.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.857 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 m-85 -61.92 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 64.540000000000006 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.854 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 44.310000000000002 111.158 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.804 0.335 . . . . 74.099999999999994 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.8 -42.82 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.040000000000006 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -103.53 11.17 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 111.079 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.23 -54.26 56.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 72.219999999999999 111.132 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 53.310000000000002 112.344 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.609 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.5 t -99.29 -48.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 55.219999999999999 111.158 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.1 m-30 -63.79 -71.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 65.439999999999998 110.903 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.07 -48.96 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 71.549999999999997 111.12 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.3 pt-20 -62.88 -33.04 74.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.209999999999994 110.914 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.7 m-30 -69.52 -46.46 66.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.11 -44.15 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 61.43 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.935 ' HD2' HG12 ' A' ' 7' ' ' VAL . 10.4 mtpp -76.43 -39.67 52.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 110.853 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -58.67 -26.86 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.239999999999995 110.901 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.5 m-85 -114.66 88.44 16.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 72.019999999999996 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.57 14.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 72.049999999999997 112.346 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.799 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.37 19.02 49.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 71.519999999999996 112.516 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.885 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.31 165.37 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 32.049999999999997 111.08 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.536 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.6 m -97.87 -35.03 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 111.159 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.885 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.1 158.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 60.119999999999997 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.092 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 165.58 148.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 61.539999999999999 110.908 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.56 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.38 131.78 53.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.898 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.84 166.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.100000000000001 111.106 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.795 ' O ' HD23 ' A' ' 70' ' ' LEU . 21.3 t0 -111.28 123.03 49.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.888 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 36' ' ' THR . 3.2 m -82.43 33.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.430000000000007 111.091 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -126.48 -17.01 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.450000000000003 110.878 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE2' ' HB2' ' A' ' 12' ' ' HIS . 12.3 pt-20 -116.03 -33.57 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.299999999999997 110.876 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.99 23.14 5.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.923 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.7 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 70.430000000000007 110.908 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -34.23 -30.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 61.119999999999997 110.891 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 71' ' ' LYS . 48.1 t -81.28 -46.66 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.25 111.102 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.96 -27.51 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.064 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.9 -32.95 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 72.540000000000006 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.528 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -73.87 -31.06 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 23.0 m-85 -98.69 1.46 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.908 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 28.8 t30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.487 ' CG ' ' H ' ' A' ' 84' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.603 0.716 . . . . 72.409999999999997 110.88 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.74 18.46 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.681 2.254 . . . . 75.319999999999993 112.369 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -43.33 120.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 70.209999999999994 111.158 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.68 40.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.857 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -30.62 141.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 62.020000000000003 110.917 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.631 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.9 m-85 -120.09 154.48 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.230000000000004 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.852 HG12 HD11 ' A' ' 33' ' ' ILE . 3.7 mm -139.06 79.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 52.409999999999997 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -81.77 122.65 27.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.879 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.5 t0 82.92 -12.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.310000000000002 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.74 47.39 1.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 64.209999999999994 112.485 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.87 -89.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 55.020000000000003 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -172.36 103.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 73.109999999999999 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.87 -32.76 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 33.149999999999999 111.115 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 157.11 179.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 71.400000000000006 110.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.502 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.77 173.85 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 74.25 110.901 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.7 t -144.0 -97.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.420000000000002 111.106 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.48 125.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 60.149999999999999 111.123 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.8 49.13 2.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 63.020000000000003 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -153.01 11.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 52.030000000000001 111.101 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -123.59 110.87 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.530000000000001 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.48 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -80.64 1.0 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 110.925 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 21.1 t70 -123.84 -7.1 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.844 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -107.32 -18.38 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 72.040000000000006 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.2 tp -78.88 -74.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.530000000000001 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.783 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.63 -17.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 62.530000000000001 110.903 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.24 -34.0 37.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.92 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.624 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.3 m -82.07 -37.22 26.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.209999999999994 111.137 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -64.42 -25.92 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.200000000000003 111.167 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.1 m -78.27 -29.92 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.010000000000005 111.152 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -79.7 -28.59 40.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.876 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.777 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.6 m170 -100.77 -47.84 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.848 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.6 t -94.22 -30.71 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.25 111.157 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.23 -11.16 85.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 73.530000000000001 112.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 53.119999999999997 111.102 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.898 0.38 . . . . 61.130000000000003 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.49 21.1 7.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 71.439999999999998 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.942 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.5 m -104.62 -179.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 45.450000000000003 111.166 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.4 m -52.35 95.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 72.319999999999993 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' N ' ' A' ' 10' ' ' ALA . 42.7 mm -42.08 165.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.635 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.06 74.76 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.138 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -58.34 161.72 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 54.409999999999997 110.892 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -166.97 34.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.848 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER 178.92 27.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.219999999999999 110.928 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.686 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.3 -69.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.420000000000002 110.843 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.32 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 74.329999999999998 110.881 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -80.44 -42.77 22.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.892 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.56 -48.67 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 74.150000000000006 110.914 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -64.15 -43.92 93.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 64.430000000000007 110.87 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.14 -36.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 34.219999999999999 111.073 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' OE1' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.47 -53.15 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.150000000000006 110.93 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.468 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.29 -33.84 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.889 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -77.03 -27.5 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 65.430000000000007 111.106 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -80.04 24.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.85 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.683 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.22 -52.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.030000000000001 111.129 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -44.0 97.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 22' ' ' THR . 1.1 pt-20 -86.38 -40.1 15.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.09 -32.54 73.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.081 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.81 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 53.119999999999997 112.475 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.7 ptpt -138.51 155.85 48.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 70.420000000000002 110.915 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.852 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.8 OUTLIER -66.81 163.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 60.439999999999998 111.113 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.683 HG23 ' CB ' ' A' ' 24' ' ' ALA . 14.8 t -114.25 146.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.340000000000003 111.135 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.886 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -142.61 96.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.209999999999994 111.112 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.832 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.05 126.68 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 64.019999999999996 111.148 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -103.47 86.08 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 62.219999999999999 110.847 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.589 ' C ' HG22 ' A' ' 36' ' ' THR . 39.0 m-85 -58.44 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 63.539999999999999 111.164 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.832 0.349 . . . . 73.430000000000007 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -81.13 -40.99 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.310000000000002 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -106.1 9.78 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 111.167 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.51 -55.65 40.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 74.049999999999997 111.142 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.67 4.44 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.749 2.3 . . . . 74.230000000000004 112.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 10.0 t -99.1 -49.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 52.130000000000003 111.142 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -62.67 -71.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.219999999999999 110.9 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.82 -49.38 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.87 -31.56 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 64.140000000000001 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.646 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-30 -70.7 -45.88 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.340000000000003 110.912 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.58 -43.74 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 75.129999999999995 111.074 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.942 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.8 mtpp -77.19 -41.67 40.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.88 -30.25 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.109999999999999 110.872 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.8 m-85 -111.78 88.05 9.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 74.310000000000002 110.87 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 61.439999999999998 112.301 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -100.6 21.02 45.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 22.050000000000001 112.486 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.8 162.86 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 54.25 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.519 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.2 m -92.34 -37.19 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 111.111 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.92 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 86.0 m-85 58.11 153.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.040000000000006 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.06 148.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.150000000000006 110.889 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.41 133.66 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.230000000000004 110.918 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HD21 ' A' ' 70' ' ' LEU . 91.0 t -116.21 161.71 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.030000000000001 111.125 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.738 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -118.1 112.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.549999999999997 110.867 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 67' ' ' VAL . 2.0 m -80.57 34.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 71.030000000000001 111.16 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -130.51 -6.08 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.871 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 10.4 pt-20 -131.6 -34.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 71.109999999999999 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 65' ' ' VAL . 1.8 pt? -130.17 23.93 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 71.239999999999995 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.9 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 110.87 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.9 pt-20 -34.77 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 64.209999999999994 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 69.0 t -77.85 -47.76 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.230000000000004 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -62.47 -33.92 75.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.136 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -24.65 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.420000000000002 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -79.01 -30.91 44.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 65.099999999999994 110.906 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 21.9 m-85 -97.76 -17.83 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 54.210000000000001 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 9.1 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.120000000000005 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.534 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.572 0.701 . . . . 63.420000000000002 110.859 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.81 22.44 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 45.350000000000001 112.355 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -44.43 125.41 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 74.049999999999997 111.114 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -84.45 40.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 65.120000000000005 110.885 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.12 143.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.88 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 16.9 m-85 -120.66 159.1 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.881 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.832 HG12 HD11 ' A' ' 33' ' ' ILE . 4.6 mm -144.02 75.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 111.117 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -77.09 121.25 23.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.912 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.5 t70 84.05 -12.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.05 41.63 2.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 64.239999999999995 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.86 -88.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 65.120000000000005 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.85 105.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.82 -33.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.25 111.094 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.5 m-20 158.71 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.861 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.06 -178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.219999999999999 110.862 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.3 t -153.04 -96.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.430000000000007 111.126 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.807 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.65 131.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 111.127 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.8 43.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 33.020000000000003 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.562 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -148.62 11.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 42.310000000000002 111.097 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 2.0 mpt_? -124.75 114.63 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.239999999999995 110.862 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.89 3.92 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.120000000000005 110.902 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.437 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 23.1 t0 -123.14 -7.22 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.845 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 71.540000000000006 110.839 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.6 tp -79.47 -74.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.049999999999997 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.821 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.13 -18.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.140000000000001 110.912 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.654 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.7 t30 -79.79 -32.17 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 60.229999999999997 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.638 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.0 m -84.09 -38.28 20.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 63.119999999999997 111.124 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.588 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -63.62 -25.12 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 111.113 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.74 -29.77 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.540000000000006 111.152 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.606 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -80.57 -28.16 37.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.89 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.852 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.8 m170 -100.85 -47.8 4.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.848 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.3 t -94.79 -29.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -80.12 -9.4 86.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 74.140000000000001 112.481 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 72.439999999999998 111.049 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.851 0.357 . . . . 71.409999999999997 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.09 30.94 3.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 32.409999999999997 112.496 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -110.27 177.27 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 71.219999999999999 111.166 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.84 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.4 m -49.47 95.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 111.098 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 10' ' ' ALA . 24.0 mm -43.01 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 71.019999999999996 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.636 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.52 62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 73.150000000000006 111.113 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -52.73 162.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.903 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 17.2 p80 -169.62 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -178.83 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.430000000000007 110.91 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 65.69 -68.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.310000000000002 110.868 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -30.96 -37.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 72.319999999999993 110.876 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -83.66 -42.46 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.340000000000003 110.889 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.92 -44.95 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.876 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.95 -39.41 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 52.229999999999997 110.886 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -45.28 -21.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.43 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -105.58 -55.37 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.894 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.524 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.3 -24.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 62.530000000000001 110.905 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -90.56 -26.07 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 52.350000000000001 111.132 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 4.2 mttm -82.87 19.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 62.420000000000002 110.858 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -119.98 -47.23 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 111.091 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -48.8 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 72.540000000000006 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.97 -45.42 50.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.86 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -62.26 -28.25 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.239999999999995 111.106 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.22 13.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 71.340000000000003 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.57 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -125.36 166.61 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 62.100000000000001 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -79.55 159.38 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' HG13 ' A' ' 30' ' ' VAL . 37.5 t -112.51 148.01 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 75.329999999999998 111.132 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.11 95.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.310000000000002 111.137 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.856 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -96.07 123.8 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 65.510000000000005 111.09 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 85' ' ' PHE . 3.0 m-20 -100.44 95.26 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 65.409999999999997 110.838 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 67' ' ' VAL . 45.6 m-85 -68.15 -170.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 64.129999999999995 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 35' ' ' PHE . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 54.109999999999999 111.128 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 73.430000000000007 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.41 -42.93 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -104.94 9.71 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 111.163 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.44 -55.37 43.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 70.549999999999997 111.111 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.82 4.48 2.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 31.23 112.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.2 t -99.31 -48.09 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 72.450000000000003 111.16 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.782 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.1 m-30 -64.49 -71.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.79 -49.33 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.349999999999994 111.12 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -62.51 -32.27 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 110.899 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -71.4 -44.86 64.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 110.915 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.28 -43.27 3.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 73.340000000000003 111.079 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.17 -40.68 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.109999999999999 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.1 mtmt -56.2 -28.34 57.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 61.340000000000003 110.901 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 12.6 m-85 -114.96 89.58 20.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 64.340000000000003 110.898 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.9 29.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 71.219999999999999 112.372 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.798 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -84.78 19.53 20.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 74.120000000000005 112.438 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.89 166.29 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 72.430000000000007 111.123 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' HD3' ' A' ' 29' ' ' LYS . 32.4 m -96.93 -38.47 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 63.32 111.096 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.904 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.9 m-85 59.23 146.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 73.040000000000006 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.856 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 174.33 146.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 65.230000000000004 110.909 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.51 134.22 55.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 110.903 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -135.22 162.45 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 74.239999999999995 111.117 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.3 t70 -107.08 127.92 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.519999999999996 110.888 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 35' ' ' PHE . 2.9 m -84.25 29.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.16 -20.42 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.854 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -111.84 -35.21 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.129999999999995 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -127.3 24.13 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 60.119999999999997 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.05 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.209999999999994 110.866 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.5 pt-20 -35.68 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 74.400000000000006 110.878 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' LYS . 74.4 t -82.26 -44.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 55.439999999999998 111.108 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -67.23 -31.6 72.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.349999999999994 111.087 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.78 -21.88 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 71.409999999999997 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.98 -32.03 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 62.310000000000002 110.852 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.8 m-85 -95.82 -20.57 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 64.420000000000002 110.911 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 61.329999999999998 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.534 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.617 0.722 . . . . 53.119999999999997 110.837 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.8 21.54 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 54.149999999999999 112.361 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -48.18 128.55 14.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 43.149999999999999 111.122 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -88.43 41.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 61.200000000000003 110.878 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.29 137.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 73.109999999999999 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -116.17 152.99 32.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.772 HG12 HD11 ' A' ' 33' ' ' ILE . 4.1 mm -138.67 80.07 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 62.340000000000003 111.137 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.4 ttpt -80.53 122.07 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.894 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.7 t70 81.91 -7.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 71.140000000000001 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.33 42.97 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 30.399999999999999 112.496 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -144.73 -87.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 75.239999999999995 111.098 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -175.1 105.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 74.239999999999995 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.49 -34.02 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 111.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.0 m-20 157.09 179.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.510000000000005 110.805 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.61 -179.73 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 110.883 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.874 HG12 ' N ' ' A' ' 98' ' ' VAL . 13.1 t -151.94 -92.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.239999999999995 111.151 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.874 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.16 134.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 61.240000000000002 111.155 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -86.96 42.18 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 63.130000000000003 112.474 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.37 15.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 61.219999999999999 111.108 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 98' ' ' VAL . 5.1 mpt_? -123.48 114.06 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 73.129999999999995 110.884 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.53 12.18 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.239999999999995 110.864 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -5.62 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.150000000000006 110.873 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.73 -30.41 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.310000000000002 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 50' ' ' PHE . 15.3 tp -65.27 -76.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 110.907 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.725 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.08 -35.2 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.937 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 110' ' ' VAL . 5.7 t-20 -63.12 -33.72 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.120000000000005 110.838 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 112' ' ' HIS . 6.1 m -80.9 -47.0 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.210000000000001 111.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 105' ' ' LEU . 2.2 mp -53.71 -27.97 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.510000000000005 111.109 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 107' ' ' ASN . 29.1 m -78.32 -27.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 51.399999999999999 111.082 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.514 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -82.53 -27.6 31.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.928 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.677 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.2 m170 -102.46 -47.52 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 73.310000000000002 110.882 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.65 -30.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.040000000000006 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.72 -10.59 86.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 44.539999999999999 112.476 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 51.140000000000001 111.116 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.903 0.383 . . . . 63.310000000000002 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.05 29.33 3.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 44.149999999999999 112.457 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.67 176.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 74.530000000000001 111.137 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.1 m -50.42 95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 111.097 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.707 ' HB ' HD12 ' A' ' 63' ' ' LEU . 25.5 mm -43.0 167.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 73.540000000000006 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.631 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -139.6 74.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 111.111 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.29 175.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 110.889 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.469 ' C ' ' OE2' ' A' ' 69' ' ' GLU . 18.6 t-80 -179.42 30.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 177.14 26.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.239999999999995 110.878 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.93 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 110.861 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -31.47 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.239999999999995 110.879 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.06 -43.9 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 55.399999999999999 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -51.46 -43.81 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.549999999999997 110.896 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.487 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.3 m-20 -68.62 -34.44 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.129999999999995 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -46.37 -20.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 54.409999999999997 111.111 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' CD ' HG13 ' A' ' 9' ' ' ILE . 1.4 mp0 -104.68 -51.86 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.230000000000004 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.426 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.35 -21.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.349999999999994 110.817 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.63 -23.88 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 72.230000000000004 111.15 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.8 mttt -83.54 20.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.420000000000002 110.919 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.51 -44.27 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.549999999999997 111.089 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.27 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 61.119999999999997 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.91 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.867 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -63.72 -27.75 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.11 32.18 18.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 53.43 112.504 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.684 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -125.32 165.07 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 64.329999999999998 110.899 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -78.25 161.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 72.019999999999996 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.582 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 44.1 t -113.54 148.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.340000000000003 111.11 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.871 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.23 95.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.040000000000006 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.079 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -95.73 129.57 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.114 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -105.44 92.19 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 61.420000000000002 110.889 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 29.4 m-85 -62.87 -164.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.869 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.85 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 73.519999999999996 111.132 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.848 0.356 . . . . 71.019999999999996 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.83 -48.24 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 110.853 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.758 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -102.09 10.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 111.089 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.36 -54.2 57.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 72.219999999999999 111.102 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.72 3.73 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 52.219999999999999 112.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -98.81 -48.46 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 43.409999999999997 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -63.38 -70.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.099999999999994 110.906 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.864 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.51 -48.99 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.209999999999994 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.1 pt-20 -63.43 -30.52 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 74.510000000000005 110.883 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.0 m-30 -72.25 -45.57 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 71.049999999999997 110.955 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.36 -42.51 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 62.219999999999999 111.107 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.907 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.4 mtpp -77.66 -41.07 39.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.019999999999996 110.907 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -53.77 -32.09 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.9 m-85 -111.51 89.72 11.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 71.299999999999997 110.88 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.07 13.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.635 2.223 . . . . 71.030000000000001 112.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.814 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -93.2 21.67 38.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 72.420000000000002 112.469 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.918 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.61 165.73 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.120000000000005 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.684 HG12 ' HD3' ' A' ' 29' ' ' LYS . 13.1 m -97.61 -35.05 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.119999999999997 111.138 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.918 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.7 m-85 56.99 158.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.079 HD23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 169.48 150.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.210000000000001 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.76 122.66 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 75.340000000000003 110.898 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.738 HG13 HD21 ' A' ' 70' ' ' LEU . 85.5 t -107.37 161.4 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 65.319999999999993 111.104 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.868 ' O ' HD23 ' A' ' 70' ' ' LEU . 8.9 t0 -121.92 102.96 8.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 55.240000000000002 110.865 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 36' ' ' THR . 3.4 m -74.72 43.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.340000000000003 111.094 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.56 -20.01 2.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 110.858 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.66 -29.69 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.87 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.37 21.65 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 110.908 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.78 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.540000000000006 110.903 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.2 pt-20 -34.46 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 71' ' ' LYS . 53.9 t -76.2 -48.7 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 51.539999999999999 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -60.52 -32.07 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.107 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.15 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 70.200000000000003 110.887 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -74.56 -34.95 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.010000000000005 110.883 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.692 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.6 m-85 -94.51 -12.69 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.040000000000006 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 56.5 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 74.129999999999995 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.562 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.571 0.701 . . . . 75.310000000000002 110.874 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.73 20.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 71.409999999999997 112.363 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.562 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -47.33 126.69 9.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.010000000000005 111.186 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.643 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -85.63 41.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 110.901 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.695 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -31.48 144.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.881 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.0 m-85 -121.42 157.07 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 110.908 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 33' ' ' ILE . 4.5 mm -142.54 77.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.450000000000003 111.156 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 4.5 ttpt -79.98 121.84 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t70 83.46 -12.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.869 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.75 45.02 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 42.030000000000001 112.472 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.3 -89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.321 . . . . 73.439999999999998 111.076 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -174.3 104.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 110.931 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.89 -34.07 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 63.399999999999999 111.068 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 157.52 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.150000000000006 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -132.79 174.03 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 60.549999999999997 110.936 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 98' ' ' VAL . 37.2 t -143.03 -94.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 74.319999999999993 111.161 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 161.21 131.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 111.104 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -81.75 43.78 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 61.240000000000002 112.453 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.584 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -151.62 14.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 74.439999999999998 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -126.3 116.22 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -87.12 6.37 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 64.030000000000001 110.907 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.447 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -126.3 -7.48 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 75.310000000000002 110.852 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.99 -17.53 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 52.450000000000003 110.901 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 50' ' ' PHE . 21.7 tp -81.09 -74.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.94 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.47 -18.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.906 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.6 -33.61 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.626 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.7 m -81.17 -39.54 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.409999999999997 111.102 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -62.03 -26.6 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.219999999999999 111.158 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.26 -30.65 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 70.409999999999997 111.132 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -79.01 -28.89 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 75.540000000000006 110.917 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.742 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.8 m170 -100.5 -48.37 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 74.219999999999999 110.827 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.814 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.33 -30.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.02 -9.18 87.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 72.319999999999993 112.514 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 74.310000000000002 111.134 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.949 0.404 . . . . 74.140000000000001 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -83.89 29.36 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 73.430000000000007 112.497 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.929 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -111.27 179.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 71.450000000000003 111.105 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.7 m -51.63 95.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 72.519999999999996 111.143 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.628 HG22 ' N ' ' A' ' 10' ' ' ALA . 18.9 mm -42.77 168.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 55.020000000000003 111.123 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.03 56.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 111.132 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -43.43 160.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 52.329999999999998 110.874 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -168.36 38.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.859 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 176.85 28.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.671 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.48 -69.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.88 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.45 -38.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.329999999999998 110.892 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.3 mt-10 -80.89 -41.34 23.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.74 ' HA ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.69 -45.12 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 64.030000000000001 110.883 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -68.11 -28.97 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -59.98 -7.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 111.137 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -117.67 -37.66 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.571 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.7 -16.84 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.329999999999998 110.854 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.87 -31.54 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 43.210000000000001 111.197 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -80.85 26.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.319999999999993 110.878 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -127.3 -42.37 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 61.119999999999997 111.107 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -69.94 -43.37 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.099999999999994 110.915 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.88 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.09 -29.14 69.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 33.409999999999997 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.36 30.71 13.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 53.439999999999998 112.425 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -121.7 163.86 18.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 72.310000000000002 110.907 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -77.23 160.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 65.120000000000005 111.133 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' A' ' 24' ' ' ALA . 9.9 t -114.16 147.75 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.230000000000004 111.115 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.888 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.9 mp -142.48 96.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 71.230000000000004 111.072 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.066 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -95.73 128.31 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 55.049999999999997 111.106 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.7 t70 -101.41 86.75 3.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 74.010000000000005 110.851 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' HG22 ' A' ' 36' ' ' THR . 30.8 m-85 -61.0 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.340000000000003 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 111.131 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 71.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.1 -42.51 93.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 52.119999999999997 110.902 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.52 11.05 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 53.420000000000002 111.087 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.08 -54.43 54.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 62.32 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 71.230000000000004 112.342 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -100.1 -48.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 111.12 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.5 m-30 -63.85 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.866 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.29 -48.67 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.549999999999997 111.123 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -62.76 -32.27 73.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.617 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.903 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.794 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.71 -42.45 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 61.350000000000001 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.929 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.6 mtpp -78.68 -42.71 27.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.873 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 12.2 mtmt -54.8 -25.98 31.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 61.329999999999998 110.913 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 109' ' ' ILE . 17.4 m-85 -115.45 89.36 21.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 72.409999999999997 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 64.150000000000006 112.355 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.806 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.37 23.29 32.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 51.210000000000001 112.487 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.87 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 71.349999999999994 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 33.3 m -94.67 -35.86 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 111.159 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.951 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.25 160.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 71.010000000000005 110.866 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.066 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.88 147.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 63.310000000000002 110.914 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.08 132.9 54.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.209999999999994 110.926 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.129999999999995 111.141 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.794 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.0 t0 -110.57 121.7 45.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.879 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 36' ' ' THR . 16.4 m -82.96 33.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.92 -19.88 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.329999999999998 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.607 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 9.0 pt-20 -115.5 -33.05 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 61.450000000000003 110.885 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.14 23.49 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 64.519999999999996 110.948 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.09 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.919 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.4 pt-20 -34.05 -31.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 63.210000000000001 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.5 t -76.49 -47.41 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 62.340000000000003 111.09 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.698 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 45.439999999999998 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.66 -18.44 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.917 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -86.16 -31.56 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 63.210000000000001 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.5 m-85 -96.69 -15.91 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.918 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.891 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.493 ' CE ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.576 0.703 . . . . 70.319999999999993 110.849 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.8 40.94 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 74.109999999999999 112.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -62.93 116.89 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 62.340000000000003 111.143 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.26 60.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.862 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.845 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -48.31 143.18 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 61.100000000000001 110.927 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 40.0 m-85 -120.6 141.69 50.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 51.149999999999999 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 33' ' ' ILE . 11.9 mm -128.5 77.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.019999999999996 111.09 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 10.5 ttmt -78.67 122.49 26.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.349999999999994 110.848 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.3 t0 83.41 -15.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 44.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 62.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.419 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.81 -86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 41.030000000000001 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -175.48 106.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 75.409999999999997 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.666 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -88.51 -32.0 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 111.132 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.3 m-20 157.73 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 53.340000000000003 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.845 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -128.35 -171.3 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 110.896 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -161.96 -96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.030000000000001 111.11 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.77 143.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 54.530000000000001 111.141 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.39 49.06 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 73.310000000000002 112.513 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.55 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.73 16.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 61.229999999999997 111.095 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 100' ' ' ALA . 6.4 mpt_? -131.0 113.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.329999999999998 110.874 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.27 8.12 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 71.540000000000006 110.88 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.451 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 11.7 p-10 -124.8 -10.18 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.299999999999997 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.33 -20.63 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.450000000000003 110.866 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 50' ' ' PHE . 30.4 tp -78.82 -76.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.823 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.75 -20.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 63.210000000000001 110.934 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 t30 -79.88 -34.08 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 70.430000000000007 110.834 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.609 HG23 ' CE1' ' A' ' 112' ' ' HIS . 8.8 m -80.78 -40.53 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 51.509999999999998 111.099 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -62.8 -26.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 55.43 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.8 m -78.77 -30.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.200000000000003 111.157 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.481 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -79.63 -28.27 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 65.340000000000003 110.928 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.87 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.7 m170 -101.01 -47.45 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 71.109999999999999 110.815 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.9 t -94.73 -29.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 70.340000000000003 111.147 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.9 -11.38 84.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 74.030000000000001 112.487 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 71.239999999999995 111.071 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 74.420000000000002 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.75 25.56 5.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 50.43 112.483 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -104.08 176.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 62.439999999999998 111.155 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 35.6 m -49.95 94.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 30.23 111.13 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.634 HG22 ' N ' ' A' ' 10' ' ' ALA . 14.2 mm -44.52 170.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 111.135 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -142.27 81.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 54.240000000000002 111.114 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -54.84 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.92 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.554 ' NE2' ' CG ' ' A' ' 64' ' ' LYS . 10.6 m170 67.56 16.51 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 74.329999999999998 110.897 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ASP . 11.5 t-20 -152.39 10.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 62.66 -72.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 71.430000000000007 110.883 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -33.07 -34.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 63.450000000000003 110.899 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -89.13 -39.81 13.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.519999999999996 110.876 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -53.21 -32.43 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.200000000000003 110.884 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -70.83 -34.22 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.87 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -56.26 -29.13 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -94.97 -52.7 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 55.039999999999999 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HE2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -49.03 -24.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.86 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -94.9 -19.27 20.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 111.198 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -83.56 23.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.918 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.619 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.93 -47.0 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 63.530000000000001 111.046 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -41.39 96.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 110.896 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.17 -42.38 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 75.400000000000006 110.885 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 71.319999999999993 111.077 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 36.38 7.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 42.009999999999998 112.5 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -135.53 160.6 37.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 61.450000000000003 110.916 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -71.65 160.52 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 111.105 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 24' ' ' ALA . 36.3 t -111.5 143.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.230000000000004 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.863 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mp -141.54 98.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 55.210000000000001 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.74 126.78 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 111.105 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.8 t70 -99.01 91.89 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 110.857 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.751 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 32.4 m-85 -64.93 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.865 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.995 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 63.549999999999997 111.151 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 73.299999999999997 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -71.56 -42.63 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.891 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -104.91 10.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 111.12 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.27 -54.21 55.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 75.219999999999999 111.105 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.79 4.66 2.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.676 2.251 . . . . 75.120000000000005 112.376 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.6 t -100.25 -47.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 111.117 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.0 m-30 -63.27 -71.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.32 -48.73 18.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 111.09 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -62.77 -32.55 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 72.340000000000003 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -71.37 -44.67 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.34 -42.69 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.239999999999995 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.82 -40.83 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.530000000000001 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.0 mtmt -53.74 -30.16 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 45.520000000000003 110.927 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.3 m-85 -113.24 88.66 12.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 72.329999999999998 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -1.61 8.72 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.728 2.285 . . . . 60.509999999999998 112.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.78 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.3 19.99 50.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 74.239999999999995 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.905 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.95 165.07 32.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.230000000000004 111.091 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.4 m -93.84 -36.83 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 43.219999999999999 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.905 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.4 m-85 58.28 151.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 64.530000000000001 110.86 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 170.24 148.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.040000000000006 110.935 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.26 132.29 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.91 179.817 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.821 ' CG2' HD21 ' A' ' 70' ' ' LEU . 8.6 p -118.62 163.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.310000000000002 111.102 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.1 t0 -120.6 115.19 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.420000000000002 110.864 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 36' ' ' THR . 2.5 m -80.48 34.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.12 -11.12 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 64.099999999999994 110.852 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' CD ' ' HB3' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -128.09 -38.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 61.420000000000002 110.857 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.821 HD21 ' CG2' ' A' ' 65' ' ' VAL . 1.7 pt? -124.66 22.42 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.77 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 64.5 110.925 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.7 pt-20 -35.82 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.888 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 71' ' ' LYS . 73.0 t -80.16 -45.34 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.166 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.751 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.61 -32.18 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 61.439999999999998 111.085 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.27 -23.78 67.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.430000000000007 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -81.42 -32.19 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.310000000000002 110.909 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.8 m-85 -96.39 -17.06 20.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.450000000000003 110.928 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 41.299999999999997 110.872 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.57 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.554 0.692 . . . . 75.340000000000003 110.932 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.2 Cg_endo -69.79 22.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 72.540000000000006 112.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -53.25 121.37 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 72.209999999999994 111.135 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.637 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -79.66 42.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.921 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.64 141.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 70.230000000000004 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.6 m-85 -118.85 153.07 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.230000000000004 110.875 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.791 HG12 HD11 ' A' ' 33' ' ' ILE . 5.1 mm -138.62 75.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 63.039999999999999 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttmt -78.04 122.76 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.914 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.22 -9.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 64.140000000000001 110.888 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.9 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 40.439999999999998 112.512 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.97 -87.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 75.120000000000005 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -176.53 105.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.653 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.17 -32.84 17.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.25 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.8 m-20 158.4 179.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 110.896 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.24 177.95 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.916 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 98' ' ' VAL . 44.0 t -147.33 -97.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 111.139 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.805 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.89 134.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 60.130000000000003 111.109 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.22 42.2 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.775 . . . . 74.439999999999998 112.458 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.9 12.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.734 0.302 . . . . 73.019999999999996 111.053 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.609 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -123.07 116.44 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 70.209999999999994 110.875 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.509 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.23 11.88 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.299999999999997 110.935 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.23 -3.84 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.039999999999999 110.872 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -112.22 -33.52 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.877 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.637 HD13 ' CE2' ' A' ' 85' ' ' PHE . 6.2 tp -62.29 -72.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.530000000000001 110.899 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.845 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.1 -33.93 20.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 t30 -64.7 -27.41 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 87' ' ' PHE . 3.8 m -86.7 -47.01 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.400000000000006 111.162 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.0 mp -55.53 -28.1 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 70.319999999999993 111.128 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 106' ' ' GLN . 15.8 m -78.46 -27.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.099999999999994 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.54 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -82.78 -27.7 30.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.923 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.654 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.1 m170 -101.46 -46.8 4.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.839 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -95.29 -30.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.119999999999997 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.24 -10.89 76.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 30.350000000000001 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 51.130000000000003 111.106 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.92 0.39 . . . . 73.019999999999996 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.09 28.87 4.01 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 51.509999999999998 112.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.932 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -107.73 175.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 64.430000000000007 111.115 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 51' ' ' ALA . 25.5 m -51.76 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 64.540000000000006 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.617 HG22 ' N ' ' A' ' 10' ' ' ALA . 20.3 mm -45.01 168.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 61.140000000000001 111.098 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.24 74.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 42.140000000000001 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 14.6 p -68.86 165.74 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 44.149999999999999 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 80.1 m80 -163.61 35.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.109999999999999 110.843 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' CD ' ' A' ' 16' ' ' GLU . 2.8 p-10 -171.14 20.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.450000000000003 110.895 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 65.17 -68.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.219999999999999 110.894 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -29.63 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 71.150000000000006 110.901 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.22 -43.51 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.848 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -49.43 -37.46 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 64.510000000000005 110.911 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.8 m-20 -66.41 -37.2 84.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 62.119999999999997 110.868 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.64 -21.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 64.530000000000001 111.111 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 -52.59 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 64.230000000000004 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.12 -18.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 61.049999999999997 110.878 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.49 -21.97 15.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 111.16 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -84.39 27.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.893 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.635 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -126.59 -46.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 111.071 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -40.19 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 52.439999999999998 110.844 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -87.98 -40.96 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.140000000000001 110.916 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 70.510000000000005 111.112 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.41 36.94 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 70.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.5 ptpt -136.79 155.55 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 75.209999999999994 110.884 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -67.6 163.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.329999999999998 111.108 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' CB ' ' A' ' 24' ' ' ALA . 25.2 t -114.84 144.36 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 72.310000000000002 111.127 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.854 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.0 96.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.096 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.831 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -95.31 131.24 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.409999999999997 111.113 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -107.2 92.8 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.856 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' C ' HG22 ' A' ' 36' ' ' THR . 45.7 m-85 -62.59 -164.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 110.832 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.602 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 62.020000000000003 111.192 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 72.219999999999999 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -67.5 -42.3 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.2 tt -104.11 10.6 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.35 -54.65 52.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 53.229999999999997 111.092 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.82 4.31 2.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 74.400000000000006 112.38 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.4 t -98.83 -47.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.230000000000004 111.094 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.3 m-30 -65.06 -71.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.400000000000006 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.857 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.85 -47.53 11.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 111.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.7 pt-20 -63.9 -33.64 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 62.399999999999999 110.855 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.714 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.8 m-30 -68.44 -47.91 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.959 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.814 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.27 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 65.420000000000002 111.096 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.1 mtpp -76.36 -40.43 51.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.932 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -58.82 -24.96 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 72.329999999999998 110.944 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.4 m-85 -116.72 87.61 22.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 72.010000000000005 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -6.24 18.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 72.400000000000006 112.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.783 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -89.57 19.47 40.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 60.109999999999999 112.536 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.87 168.45 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 43.140000000000001 111.111 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.3 m -101.13 -33.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.329999999999998 111.11 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.6 m-85 56.15 160.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.209999999999994 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.79 147.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.921 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -121.15 134.71 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 62.020000000000003 110.863 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -125.9 165.18 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 62.100000000000001 111.15 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.82 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.0 t0 -110.64 119.86 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.3 m -83.02 33.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 111.102 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.45 -20.21 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.902 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 12' ' ' HIS . 14.0 pt-20 -115.45 -36.24 4.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 71.329999999999998 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -125.3 24.46 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.0 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 60.020000000000003 110.895 179.821 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.8 pt-20 -35.74 -28.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.109999999999999 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' LYS . 92.0 t -80.44 -45.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 61.32 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -62.49 -24.83 67.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 31.41 111.086 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.6 59.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 110.892 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -63.47 -35.79 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -95.85 -7.91 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.927 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 40.3 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 110.882 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.528 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.579 0.704 . . . . 75.239999999999995 110.867 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.83 21.75 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 64.340000000000003 112.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.35 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 55.350000000000001 111.133 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -82.08 39.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.030000000000001 110.869 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.646 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.68 142.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.911 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 23.4 m-85 -120.81 149.18 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.774 HG12 HD11 ' A' ' 33' ' ' ILE . 7.3 mm -133.85 75.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 72.150000000000006 111.099 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.57 122.94 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.881 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.0 t0 81.9 -11.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.12 41.24 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 54.420000000000002 112.509 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.01 -85.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.308 . . . . 61.409999999999997 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -177.8 108.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 64.329999999999998 110.899 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.866 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -91.29 -31.03 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 45.219999999999999 111.073 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.14 179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 71.010000000000005 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.705 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -136.78 174.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 110.896 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 98' ' ' VAL . 56.1 t -149.76 -100.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 111.139 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 166.02 134.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 54.039999999999999 111.115 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.56 45.29 1.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 60.439999999999998 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.523 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -147.61 0.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 71.409999999999997 111.102 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.45 HH21 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -101.83 104.4 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.893 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.518 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -81.98 2.15 32.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.219999999999999 110.878 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.47 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 2.9 p30 -129.54 -10.02 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.858 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -104.33 -25.0 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.728 HD22 ' CE1' ' A' ' 50' ' ' PHE . 34.0 tp -70.46 -74.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.936 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.704 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.61 -20.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.150000000000006 110.921 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -80.88 -33.29 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.219999999999999 110.898 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.626 HG23 ' CE1' ' A' ' 112' ' ' HIS . 2.8 m -80.45 -36.42 33.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 62.149999999999999 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -65.99 -26.35 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.010000000000005 111.188 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 106' ' ' GLN . 26.9 m -77.61 -31.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 64.340000000000003 111.103 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.48 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -78.36 -28.22 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.439999999999998 110.866 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' VAL . 18.8 m170 -100.78 -47.95 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 59' ' ' GLY . 5.0 t -94.46 -31.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 64.530000000000001 111.103 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -77.09 -22.54 70.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 72.129999999999995 112.471 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 63.219999999999999 111.084 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 74.25 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.3 22.82 7.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 72.030000000000001 112.472 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.973 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -101.83 -178.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 72.540000000000006 111.123 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.83 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 32.0 m -51.43 94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 52.200000000000003 111.095 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 39.8 mm -42.23 166.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 111.093 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.633 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.1 57.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 54.520000000000003 111.14 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 162.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 110.945 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -170.11 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 65.329999999999998 110.844 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER 179.76 27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.120000000000005 110.911 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.616 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.84 -69.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.119999999999997 110.919 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -30.79 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 110.877 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.2 mt-10 -81.98 -42.5 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.430000000000007 110.889 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.29 -41.9 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.510000000000005 110.853 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.22 -43.17 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 110.914 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.15 -25.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.1 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -104.95 -51.52 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 110.917 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.32 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.400000000000006 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.6 -23.85 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 62.210000000000001 111.175 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -83.74 25.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.898 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -128.61 -41.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 63.350000000000001 111.102 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.58 -46.15 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 74.349999999999994 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.84 -46.35 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 110.858 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.1 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 63.119999999999997 111.095 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 36.04 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 74.150000000000006 112.514 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.627 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.13 158.99 31.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 72.140000000000001 110.879 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.9 OUTLIER -70.7 162.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 111.137 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 ' N ' HG13 ' A' ' 30' ' ' VAL . 68.2 t -119.35 149.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.540000000000006 111.103 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.859 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.1 97.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 111.144 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.3 128.4 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 111.105 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -99.67 86.61 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.329999999999998 110.867 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 24.2 m-85 -60.21 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.129999999999995 110.896 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.996 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.019999999999996 111.173 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.79 0.329 . . . . 64.439999999999998 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -78.56 -41.25 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.91 9.95 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 75.450000000000003 111.118 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.675 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.35 -55.17 45.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 74.420000000000002 111.123 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.76 5.19 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 75.409999999999997 112.388 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.0 t -100.08 -47.94 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 54.399999999999999 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.22 -71.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.39 -49.24 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 62.149999999999999 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -61.54 -33.91 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.909 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.657 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.1 m-30 -69.17 -45.04 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 65.209999999999994 110.903 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.15 -43.13 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 111.053 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.973 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -80.04 -43.49 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 70.019999999999996 110.904 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -53.53 -29.52 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.049999999999997 110.912 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.537 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.2 m-85 -111.76 89.2 10.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 74.109999999999999 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.88 17.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 73.340000000000003 112.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.767 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.81 17.89 52.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 62.020000000000003 112.48 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.89 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.36 167.78 22.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 54.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.627 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.9 m -101.29 -34.09 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.540000000000006 111.115 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.89 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.8 m-85 55.88 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.530000000000001 110.888 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.788 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 164.36 150.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 72.140000000000001 110.887 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.09 128.26 47.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.839 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -126.07 167.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.409999999999997 111.141 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.774 ' O ' HD23 ' A' ' 70' ' ' LEU . 30.2 t0 -113.0 123.55 50.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.439999999999998 110.855 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.996 HG22 ' O ' ' A' ' 36' ' ' THR . 10.3 m -82.03 32.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.239999999999995 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -124.34 -20.18 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.439999999999998 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.94 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.539999999999999 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.7 pt? -130.03 24.43 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -33.46 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 110.889 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.8 pt-20 -38.03 -26.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 71.450000000000003 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' LYS . 59.5 t -82.63 -42.23 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.519999999999996 111.102 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -71.36 -24.07 62.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.200000000000003 111.158 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.85 -20.05 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 71.049999999999997 110.886 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -86.23 -31.59 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.540000000000006 110.909 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -94.12 -15.78 24.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 61.240000000000002 110.916 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.498 ' HE3' ' O ' ' A' ' 82' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.564 0.697 . . . . 53.549999999999997 110.875 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.81 38.5 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.73 2.286 . . . . 52.43 112.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -61.97 120.25 10.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 111.176 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -79.49 53.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 65.129999999999995 110.856 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.91 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.98 139.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.350000000000001 110.925 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.649 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 35.1 m-85 -116.94 146.18 43.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 65.230000000000004 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.725 HG12 HD11 ' A' ' 33' ' ' ILE . 7.5 mm -131.32 75.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 71.219999999999999 111.117 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 12.2 ttmt -77.32 122.73 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 65.420000000000002 110.923 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t0 81.84 -9.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.87 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.97 43.39 2.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 52.420000000000002 112.483 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 88' ' ' ILE . . . -147.14 -86.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 70.129999999999995 111.093 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -175.41 108.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.140000000000001 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -92.83 -31.89 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 111.093 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.3 m-20 157.04 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 110.887 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.91 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -125.81 -172.2 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 71.099999999999994 110.888 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.802 HG12 ' N ' ' A' ' 98' ' ' VAL . 38.4 t -160.12 -95.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 111.144 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.802 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.22 141.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.549999999999997 111.091 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.67 45.02 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 64.549999999999997 112.453 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.643 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.24 11.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 33.399999999999999 111.112 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 5.7 mpt_? -128.31 114.44 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 54.5 110.887 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.31 7.81 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.909 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 7.4 t70 -121.85 -9.02 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 110.919 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.448 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -107.78 -23.19 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 73.310000000000002 110.845 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.597 HD22 ' CE1' ' A' ' 50' ' ' PHE . 36.1 tp -74.7 -77.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 61.530000000000001 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.844 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.75 -20.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.941 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.704 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.6 t30 -78.64 -35.57 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.904 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.623 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -80.11 -42.01 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 71.129999999999995 111.164 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -60.96 -26.73 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.549999999999997 111.136 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.92 -29.53 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.310000000000002 111.092 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.5 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.86 -28.76 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.219999999999999 110.882 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.803 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.5 m170 -100.34 -46.75 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.140000000000001 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -95.29 -31.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 73.319999999999993 111.119 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.51 -15.12 81.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 63.049999999999997 112.48 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 42.329999999999998 111.052 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HB2' HG13 ' A' ' 7' ' ' VAL . 3.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.878 0.371 . . . . 71.219999999999999 110.914 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.53 26.39 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 43.299999999999997 112.503 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -104.87 177.6 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 70.340000000000003 111.159 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 31.8 m -49.61 97.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 111.119 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.611 HG22 ' N ' ' A' ' 10' ' ' ALA . 13.2 mm -49.46 168.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.149999999999999 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.775 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.06 93.22 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.299999999999997 111.108 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HB2' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -62.59 -179.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 71.420000000000002 110.891 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 179.59 28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 110.86 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 173.03 29.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.310000000000002 110.868 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.16 -70.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 110.932 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.72 -36.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.89 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -82.33 -43.24 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.209999999999994 110.907 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -54.5 -49.47 70.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.420000000000002 110.887 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.525 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -58.87 -33.32 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.86 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -47.66 -18.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.430000000000007 111.078 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.43 ' NE2' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.11 -54.07 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 51.520000000000003 110.873 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.598 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.84 -21.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 70.219999999999999 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -88.5 -30.74 19.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 72.040000000000006 111.109 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.6 mppt? -81.93 24.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.897 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.83 -43.36 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 73.019999999999996 111.095 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -71.75 -39.17 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 63.299999999999997 110.938 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.13 -39.05 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.909 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -65.87 -30.2 70.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.549999999999997 111.093 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.42 38.15 7.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 63.420000000000002 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 8.8 ptpt -134.77 155.14 51.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 73.340000000000003 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -65.48 161.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 74.349999999999994 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.596 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 40.9 t -113.66 142.93 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 54.420000000000002 111.158 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.85 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mp -141.17 96.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.409999999999997 111.136 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.06 127.71 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.019999999999996 111.099 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 12.4 t70 -101.57 88.18 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.409999999999997 110.873 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 34.1 m-85 -61.3 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.140000000000001 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.229999999999997 111.151 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.896 0.379 . . . . 74.420000000000002 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -75.54 -46.37 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 75.510000000000005 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.73 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 1.2 tt -92.33 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.319999999999993 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.635 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -47.95 -52.11 42.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 40.420000000000002 111.118 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.4 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 72.150000000000006 112.351 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.989 HG21 ' HD2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -97.68 -41.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 71.239999999999995 111.103 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 105' ' ' LEU . 19.2 m-30 -64.83 -73.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.030000000000001 110.88 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -51.72 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 44.439999999999998 111.113 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 5.8 pt-20 -55.01 -39.23 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.409999999999997 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.718 ' CZ ' HG22 ' A' ' 49' ' ' VAL . 13.0 m-30 -66.21 -48.93 69.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.439999999999998 110.934 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.38 -44.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.430000000000007 111.109 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -81.83 -44.81 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.109999999999999 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -29.26 58.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 110.932 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.95 85.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 73.200000000000003 110.858 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 60.149999999999999 112.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.596 ' C ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 15.08 62.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 52.039999999999999 112.465 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.875 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.0 168.91 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 71.109999999999999 111.106 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 15.8 m -98.59 -34.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 111.153 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.875 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 76.2 m-85 56.35 159.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 159.07 148.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 73.230000000000004 110.891 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -112.47 137.33 50.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.109999999999999 110.867 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.745 HG13 HD21 ' A' ' 70' ' ' LEU . 75.0 t -120.14 152.81 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.140000000000001 111.129 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.874 ' O ' HD23 ' A' ' 70' ' ' LEU . 26.0 t0 -111.38 112.12 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 65.400000000000006 110.853 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 36' ' ' THR . 2.6 m -79.94 32.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.01 -12.73 6.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 71.400000000000006 110.836 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 12' ' ' HIS . 13.5 pt-20 -126.25 -31.48 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.876 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.8 pt? -131.57 24.0 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.23 -35.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 54.420000000000002 110.903 179.788 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -34.84 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.3 t -77.83 -47.58 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 111.184 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 63.240000000000002 111.091 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.21 -26.76 66.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -78.9 -33.43 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.040000000000006 110.904 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.4 m-85 -93.86 -17.81 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 64.519999999999996 110.945 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 59.1 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.450000000000003 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.52 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.547 0.689 . . . . 63.25 110.882 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.78 19.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 73.319999999999993 112.352 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -44.19 126.21 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.131 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.737 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -86.6 46.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.841 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -32.14 145.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 54.119999999999997 110.951 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 30.9 m-85 -124.39 139.42 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.828 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.779 HG12 HD11 ' A' ' 33' ' ' ILE . 9.8 mm -127.12 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 73.319999999999993 111.109 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 8.5 ttmt -75.28 123.8 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 61.119999999999997 110.9 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.9 t70 81.35 -15.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.129999999999995 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.61 42.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 64.25 112.461 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -144.35 -87.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 75.099999999999994 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.68 103.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.420000000000002 110.875 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.13 -34.72 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.1 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER 159.27 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 71.219999999999999 110.901 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.22 171.56 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.120000000000005 110.913 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 98' ' ' VAL . 42.9 t -141.39 -97.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 51.229999999999997 111.13 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.97 128.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.140000000000001 111.143 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.39 46.09 2.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 50.530000000000001 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -157.41 16.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 61.210000000000001 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.482 ' HD3' HG11 ' A' ' 98' ' ' VAL . 9.5 mpt_? -126.19 115.02 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 71.030000000000001 110.861 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.989 ' HD2' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -88.58 7.75 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.049999999999997 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.08 -10.47 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.140000000000001 110.886 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HB3' HG13 ' A' ' 97' ' ' VAL . 2.8 t0 -109.57 -36.2 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 71.030000000000001 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -66.04 -77.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.685 ' H ' ' CD ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -48.43 -18.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 64.530000000000001 110.888 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.799 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.8 m-80 -83.05 -32.37 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.84 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.652 HG23 ' CE1' ' A' ' 112' ' ' HIS . 19.3 m -80.04 -41.42 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 111.128 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.1 mp -57.73 -28.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.209999999999994 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 107' ' ' ASN . 26.0 m -77.51 -26.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 111.189 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 3.1 ptmt -84.12 -28.16 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.200000000000003 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.695 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.1 m170 -100.83 -47.79 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 70.510000000000005 110.854 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.596 HG13 ' C ' ' A' ' 59' ' ' GLY . 11.9 t -94.27 -30.66 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 74.109999999999999 111.161 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.77 -10.72 86.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 53.219999999999999 112.502 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.430000000000007 111.103 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.892 0.377 . . . . 63.240000000000002 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.62 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 63.450000000000003 112.492 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.834 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 72.030000000000001 111.14 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.6 m -47.6 93.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.219999999999999 111.157 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.603 HG22 ' N ' ' A' ' 10' ' ' ALA . 14.1 mm -43.05 167.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 111.131 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.603 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.24 80.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 111.113 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -64.65 159.27 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.895 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t-80 -165.43 37.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.858 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER 176.94 25.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 52.119999999999997 110.866 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.72 -70.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 61.210000000000001 110.871 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.45 -37.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.854 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.03 -43.68 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 61.340000000000003 110.87 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.73 -40.15 62.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.885 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -66.28 -45.37 80.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 71.430000000000007 110.883 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' ASP . . . -36.86 -27.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.519999999999996 111.086 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' ASP . 16.5 mp0 -102.65 -44.51 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.239999999999995 110.914 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.627 ' HE2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.98 -35.16 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 110.857 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -88.97 -19.49 25.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 74.140000000000001 111.129 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.21 23.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.887 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.51 -44.62 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 73.200000000000003 111.123 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -67.55 -45.62 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.010000000000005 110.912 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.68 -42.29 61.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.340000000000003 110.862 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 61.240000000000002 111.093 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.75 36.21 12.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 53.210000000000001 112.533 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -129.54 157.41 42.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 63.020000000000003 110.88 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -68.99 163.04 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 52.240000000000002 111.14 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 24' ' ' ALA . 24.5 t -116.95 147.84 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 111.142 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.874 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.73 97.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.200000000000003 111.128 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 88' ' ' ILE . 0.5 OUTLIER -96.56 125.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.340000000000003 111.128 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.93 89.97 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.873 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.586 ' C ' HG22 ' A' ' 36' ' ' THR . 49.1 m-85 -60.24 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.109999999999999 111.18 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.343 . . . . 71.409999999999997 110.937 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.45 -42.88 74.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.450000000000003 110.871 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.783 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -102.38 10.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 111.104 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.65 -54.23 55.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 63.030000000000001 111.107 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.74 5.76 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 71.209999999999994 112.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.536 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.1 t -101.53 -46.92 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 111.118 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.3 m-30 -64.83 -70.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.329999999999998 110.923 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -50.21 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.340000000000003 111.058 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -58.85 -34.94 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 65.319999999999993 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.1 m-30 -69.52 -48.77 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.943 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -38.99 -45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 62.299999999999997 111.121 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.834 ' HD2' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -75.57 -40.52 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -57.72 -28.24 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 45.109999999999999 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 109' ' ' ILE . 19.3 m-85 -113.08 88.14 11.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 70.420000000000002 110.834 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.56 26.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 64.239999999999995 112.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.636 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -87.06 18.7 34.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 52.310000000000002 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.907 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.06 163.67 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 74.040000000000006 111.082 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG12 ' HD3' ' A' ' 29' ' ' LYS . 24.7 m -94.02 -35.91 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 53.520000000000003 111.131 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.907 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.1 m-85 57.11 158.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.863 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.01 147.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 52.210000000000001 110.927 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.1 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.030000000000001 110.916 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 70' ' ' LEU . 77.6 t -117.69 158.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.892 ' O ' HD23 ' A' ' 70' ' ' LEU . 19.6 t70 -114.32 104.24 11.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 61.229999999999997 110.859 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' HB2' ' A' ' 74' ' ' ALA . 13.4 m -76.94 37.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -127.61 -22.29 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.210000000000001 110.859 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -121.08 -30.17 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.1 pt? -126.95 22.66 6.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.430000000000007 110.886 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.77 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.887 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.4 pt-20 -35.11 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.91 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' LYS . 65.0 t -78.6 -49.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.400000000000006 111.165 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -63.48 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 50.210000000000001 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.22 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -83.57 -33.84 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.898 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.3 m-85 -93.6 -15.49 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 63.219999999999999 110.904 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.150000000000006 110.89 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.485 ' CE ' ' OG1' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.543 0.687 . . . . 64.129999999999995 110.92 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.79 37.97 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 75.150000000000006 112.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.563 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -62.27 121.29 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.230000000000004 111.117 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.1 m-85 -80.36 40.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.893 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.81 144.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 44.450000000000003 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 32.4 m-85 -122.88 143.41 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.349999999999994 110.854 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 12.7 mm -129.51 74.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.140000000000001 111.137 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttmm -77.62 122.97 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.91 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.4 t0 83.25 -7.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.310000000000002 110.809 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.44 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 43.450000000000003 112.471 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.25 -86.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 71.329999999999998 111.098 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -177.99 104.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.099999999999994 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.43 -32.91 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 43.109999999999999 111.106 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 160.08 179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.209999999999994 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.753 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -135.4 172.05 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 61.219999999999999 110.928 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 98' ' ' VAL . 55.2 t -145.2 -100.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 60.43 111.123 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 167.38 145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 72.439999999999998 111.134 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.68 49.87 2.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 52.109999999999999 112.473 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.532 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.11 15.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 43.399999999999999 111.107 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -128.71 114.86 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 72.25 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 13.17 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.549999999999997 110.909 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.9 -3.45 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 64.25 110.875 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.04 -32.07 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 72.040000000000006 110.863 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.679 HD12 ' CD1' ' A' ' 109' ' ' ILE . 8.7 tp -64.66 -74.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 64.420000000000002 110.922 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.809 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.83 -30.66 6.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 110.95 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.626 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 t30 -69.75 -31.48 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.87 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.573 HG21 ' CE1' ' A' ' 87' ' ' PHE . 23.4 m -82.66 -43.44 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 63.549999999999997 111.144 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.679 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -60.11 -26.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 111.1 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.2 m -78.76 -29.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 111.143 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.69 -26.99 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.239999999999995 110.854 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.591 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.6 m170 -103.12 -47.57 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 74.140000000000001 110.865 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -93.99 -29.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 111.155 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.37 -14.41 81.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 65.340000000000003 112.478 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 42.240000000000002 111.113 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 53.25 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.24 27.31 3.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 52.229999999999997 112.454 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.917 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -109.51 178.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 62.420000000000002 111.168 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.925 HG22 ' HA ' ' A' ' 51' ' ' ALA . 15.8 m -44.15 92.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.5 111.116 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 10' ' ' ALA . 46.2 mm -38.16 158.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.510000000000005 111.15 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -120.6 73.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 63.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.029 ' HB2' HD11 ' A' ' 63' ' ' LEU . 38.3 t -47.62 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.911 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 7.4 m80 63.72 27.15 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.209999999999994 110.864 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ASP . 19.2 t30 -160.97 11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.150000000000006 110.899 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.582 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 59.71 -73.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 110.843 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -30.5 -37.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.239999999999995 110.852 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -80.77 -43.1 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.120000000000005 110.863 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.91 -42.26 47.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.89 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.6 m-20 -68.15 -35.91 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 71.239999999999995 110.865 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.79 67.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 62.409999999999997 111.072 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.41 -50.6 6.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.901 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.476 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -51.04 -26.7 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.010000000000005 110.856 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -91.81 -21.42 20.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 61.229999999999997 111.133 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -83.16 20.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.33 -44.91 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.349999999999994 111.123 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -65.33 -42.26 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.881 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -85.88 -41.26 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.200000000000003 110.912 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.69 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 61.43 111.113 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.98 35.57 8.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 62.530000000000001 112.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.3 ptpt -134.65 161.14 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.895 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.793 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -72.54 161.84 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.129 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.59 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.5 t -112.55 144.67 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 52.109999999999999 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.18 97.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.97 122.55 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 111.123 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.672 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -97.88 93.52 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.891 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 36.6 m-85 -63.89 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.862 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 61.350000000000001 111.104 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.85 0.357 . . . . 70.239999999999995 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.33 -42.49 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.1 tt -102.98 10.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 45.119999999999997 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.84 -54.66 51.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 71.099999999999994 111.111 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 75.530000000000001 112.362 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG13 ' CE2' ' A' ' 53' ' ' TYR . 6.9 t -101.93 -47.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 111.105 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.8 m-30 -63.06 -69.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.04 -47.78 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 73.310000000000002 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -63.61 -32.0 73.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.929 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.6 ' CE2' HG13 ' A' ' 49' ' ' VAL . 6.4 m-30 -72.7 -44.24 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 62.210000000000001 110.943 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -42.47 -42.68 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 74.540000000000006 111.136 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.917 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.0 mtpp -78.17 -41.57 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.88 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.1 mtmt -54.89 -28.31 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.921 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.654 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 13.6 m-85 -113.22 87.92 11.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.742 . . . . 73.439999999999998 110.899 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.95 13.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.647 2.231 . . . . 65.329999999999998 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.797 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -92.32 20.09 45.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 74.540000000000006 112.462 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.23 164.37 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 31.199999999999999 111.09 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 29' ' ' LYS . 28.8 m -93.42 -37.18 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.6 m-85 58.74 145.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 55.310000000000002 110.891 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.029 HD11 ' HB2' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.98 146.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.94 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.07 126.29 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.89 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -121.35 173.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 111.145 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.853 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.6 t70 -118.88 121.05 39.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 71.310000000000002 110.93 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.818 HG12 ' HB2' ' A' ' 74' ' ' ALA . 17.9 m -82.76 30.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 70.230000000000004 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.94 -22.99 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 64.329999999999998 110.912 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 12' ' ' HIS . 12.4 pt-20 -115.12 -37.94 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 44.009999999999998 110.857 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -120.48 22.87 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 53.340000000000003 110.901 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.28 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.409999999999997 110.921 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pt-20 -35.55 -28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.239999999999995 110.909 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -79.69 -46.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.079 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -65.55 -29.41 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 111.144 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.67 -21.82 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.75 -37.53 35.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 75.540000000000006 110.902 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.706 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.4 m-85 -91.73 -14.91 29.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.219999999999999 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 73.439999999999998 110.905 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.52 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.585 0.707 . . . . 51.310000000000002 110.843 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.74 18.91 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 73.510000000000005 112.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -43.75 127.82 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.319999999999993 111.149 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.672 ' CE1' ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.14 55.75 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.230000000000004 110.869 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -45.44 142.74 2.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 64.299999999999997 110.916 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 37.8 m-85 -120.52 145.93 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.863 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.776 HG12 HD11 ' A' ' 33' ' ' ILE . 10.5 mm -132.0 75.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 111.1 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpp -76.63 122.36 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.899 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.32 -18.07 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.54 43.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 72.25 112.522 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -146.97 -87.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 54.340000000000003 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -174.5 105.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 71.109999999999999 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.79 -31.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 111.107 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 3.2 m-20 157.23 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.450000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.17 -169.33 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 61.229999999999997 110.918 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.863 HG12 ' N ' ' A' ' 98' ' ' VAL . 35.7 t -161.37 -96.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 111.177 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.863 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 156.46 124.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.519999999999996 111.075 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.19 43.72 2.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 65.430000000000007 112.503 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.14 12.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 63.439999999999998 111.156 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -126.07 114.54 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.319999999999993 110.914 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 46' ' ' ILE . 3.3 tmtt? -84.64 7.61 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.891 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 25.7 t0 -124.87 -8.92 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.109999999999999 110.881 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.408 ' HB3' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -107.22 -21.49 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 65.400000000000006 110.875 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.5 tp -74.79 -75.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.439999999999998 110.91 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.899 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.29 -24.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.140000000000001 110.906 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 m-80 -74.0 -35.57 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 54.240000000000002 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.647 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -79.72 -43.42 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 65.209999999999994 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.3 mp -59.4 -27.14 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 64.010000000000005 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.3 m -78.39 -28.66 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 70.200000000000003 111.079 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.443 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -82.0 -29.19 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.793 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.4 m170 -99.68 -47.62 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.831 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -94.48 -30.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 111.129 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.46 -11.35 85.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 74.150000000000006 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 64.430000000000007 111.093 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.935 0.398 . . . . 40.219999999999999 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.68 17.07 9.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.140000000000001 112.521 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.966 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -102.38 175.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 71.319999999999993 111.118 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.1 m -50.24 94.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 10' ' ' ALA . 37.8 mm -42.41 166.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.140000000000001 111.088 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.643 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.4 74.69 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.439999999999998 111.121 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -64.47 161.5 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 65.030000000000001 110.929 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 77.7 m-70 -167.23 34.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 70.310000000000002 110.856 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -178.09 25.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 110.862 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 65.35 -68.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.040000000000006 110.925 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -28.76 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 61.409999999999997 110.82 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.4 mt-10 -80.61 -43.53 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 71.120000000000005 110.883 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.35 -42.08 61.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 71.420000000000002 110.851 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.636 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.56 -46.64 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.549999999999997 110.909 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.57 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 111.099 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -100.41 -53.28 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.92 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.23 -19.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.46 -21.85 14.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 111.119 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.2 mttt -84.22 26.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.120000000000005 110.855 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -132.42 -42.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 72.150000000000006 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.87 -39.75 87.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 75.129999999999995 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.66 -40.82 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.099999999999994 110.879 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -69.32 -26.38 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.200000000000003 111.102 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.07 35.02 10.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 71.400000000000006 112.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -125.8 169.8 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 72.329999999999998 110.896 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -81.79 161.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 111.098 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.578 ' N ' HG13 ' A' ' 30' ' ' VAL . 38.6 t -116.25 146.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 62.310000000000002 111.146 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.27 97.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 70.109999999999999 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.917 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -97.26 133.03 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 111.132 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -109.18 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 62.350000000000001 110.859 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.652 ' C ' HG22 ' A' ' 36' ' ' THR . 59.5 m-85 -69.04 -161.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 55.5 110.877 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.652 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.171 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 71.209999999999994 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -79.58 -40.9 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.701 HG23 ' CE2' ' A' ' 50' ' ' PHE . 5.1 tt -103.42 9.4 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.439999999999998 111.12 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.62 -55.19 45.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 53.420000000000002 111.142 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 72.409999999999997 112.353 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 2.6 t -100.5 -48.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.167 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 46' ' ' ILE . 23.7 m-85 -62.64 -71.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.030000000000001 110.832 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.47 -50.9 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.310000000000002 111.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.1 pt-20 -60.37 -33.87 73.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 61.549999999999997 110.926 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.3 m-30 -70.36 -43.59 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 110.939 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -44.95 -43.02 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 64.239999999999995 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.966 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.0 mtpp -78.85 -42.76 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.049999999999997 110.902 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 1.6 mtmt -54.9 -28.29 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 70.420000000000002 110.917 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.537 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.1 m-85 -113.06 88.69 12.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.652 0.739 . . . . 61.109999999999999 110.841 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -4.39 13.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 42.210000000000001 112.385 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.71 20.4 42.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 60.43 112.517 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.899 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.42 169.1 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 71.109999999999999 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.504 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 34.6 m -102.68 -34.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.43 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.899 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 56.12 161.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.040000000000006 110.85 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.917 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 161.83 147.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 71.310000000000002 110.928 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.22 133.95 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.010000000000005 110.882 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.98 168.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 111.107 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.6 t0 -114.01 120.61 41.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.109999999999999 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 74' ' ' ALA . 11.8 m -79.2 38.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 111.11 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -128.71 -17.83 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.829 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -120.11 -32.23 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 110.903 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -126.19 25.05 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 63.530000000000001 110.952 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -34.44 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.891 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.6 pt-20 -43.04 -22.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 73.150000000000006 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 46.1 t -93.53 -29.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 63.200000000000003 111.085 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.874 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -83.17 -7.81 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 53.509999999999998 111.098 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -104.23 -21.0 13.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 63.329999999999998 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.64 ' CD ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -82.81 -23.97 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.530000000000001 110.874 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' A' ' 76' ' ' LYS . 17.0 m-85 -101.45 -23.09 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 110.885 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 5.3 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.567 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.624 0.725 . . . . 75.219999999999999 110.859 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 82' ' ' MET . 54.0 Cg_endo -69.73 40.03 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 72.5 112.385 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -54.56 126.85 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 71.010000000000005 111.112 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -83.19 39.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.439999999999998 110.916 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -32.35 143.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 70.230000000000004 110.884 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.2 m-85 -121.81 148.28 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.87 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.738 HG12 HD11 ' A' ' 33' ' ' ILE . 7.7 mm -131.77 72.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 55.420000000000002 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 5.5 ttmm -75.16 122.97 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 64.209999999999994 110.86 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.6 t70 82.87 -10.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.831 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.74 41.61 2.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 42.32 112.482 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.45 -85.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 75.319999999999993 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -176.09 111.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.450000000000003 110.928 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -96.11 -29.96 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 43.409999999999997 111.106 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 158.72 179.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.849 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.576 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.62 170.16 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.319999999999993 110.9 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 98' ' ' VAL . 54.0 t -141.76 -100.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.510000000000005 111.132 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 165.2 138.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 63.420000000000002 111.197 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.51 48.6 4.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 62.219999999999999 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.488 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.87 17.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 60.219999999999999 111.101 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -128.48 100.38 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 71.129999999999995 110.867 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -75.7 4.46 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 53.520000000000003 110.876 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -121.83 -7.29 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 52.149999999999999 110.854 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.2 -15.79 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 11.4 tp -76.09 -76.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.350000000000001 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.805 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.11 -29.77 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 71.239999999999995 110.921 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.9 t30 -67.21 -32.54 73.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.619 HG23 ' CE1' ' A' ' 112' ' ' HIS . 11.8 m -83.72 -43.16 15.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 71.430000000000007 111.171 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.594 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.5 mp -59.83 -26.95 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 111.165 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.13 -31.26 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 71.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.467 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -78.77 -29.59 45.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.913 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.815 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.4 m170 -99.59 -47.78 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -94.25 -30.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 70.340000000000003 111.142 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.8 -12.36 83.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 74.200000000000003 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 62.200000000000003 111.125 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.893 0.378 . . . . 54.140000000000001 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.65 16.52 14.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 63.539999999999999 112.53 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.996 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -96.41 179.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 71.420000000000002 111.135 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 51' ' ' ALA . 26.8 m -48.79 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.010000000000005 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.62 HG22 ' N ' ' A' ' 10' ' ' ALA . 43.7 mm -41.13 164.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.349999999999994 111.179 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -134.3 87.03 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 70.219999999999999 111.092 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' N ' ' A' ' 17' ' ' PHE . 60.2 m -103.02 118.6 37.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.874 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -125.84 43.98 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 11.7 t-20 -160.36 18.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.922 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.691 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.24 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.299999999999997 110.91 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -34.43 -34.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.887 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' C ' ' HG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.65 -37.87 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 73.450000000000003 110.859 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.05 -34.91 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.88 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.511 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -66.78 -32.3 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 73.409999999999997 110.885 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -18.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.25 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' CD ' HG13 ' A' ' 9' ' ' ILE . 7.8 mp0 -109.13 -54.53 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 1.026 ' SD ' HG11 ' A' ' 31' ' ' VAL . 2.5 tpp -48.76 -20.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -95.51 -27.22 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.209999999999994 111.115 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -74.46 9.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 62.5 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -108.44 -44.14 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.113 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.549999999999997 110.883 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.06 -44.21 48.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.914 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.61 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -78.21 -22.12 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.040000000000006 111.115 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.71 37.24 20.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 44.539999999999999 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -122.31 164.31 18.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 73.200000000000003 110.928 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 89' ' ' LYS . 1.1 t -75.78 159.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.340000000000003 111.16 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 1.026 HG11 ' SD ' ' A' ' 21' ' ' MET . 70.8 t -118.7 145.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.329999999999998 111.131 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.3 mp -135.86 99.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 50.229999999999997 111.145 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -97.55 120.55 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 72.420000000000002 111.126 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -92.46 90.17 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 71.349999999999994 110.877 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 18.8 m-85 -64.71 -167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.230000000000004 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.789 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.350000000000001 111.107 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 74.010000000000005 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.23 -43.43 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.78 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.4 tt -103.43 10.04 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 74.540000000000006 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.12 -54.66 50.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 73.519999999999996 111.082 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 6.39 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 75.540000000000006 112.355 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.603 HG13 ' CE2' ' A' ' 53' ' ' TYR . 3.7 t -102.54 -48.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.117 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.0 m-30 -61.91 -69.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.88 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.53 -49.82 44.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.114 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -60.98 -29.24 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 71.420000000000002 110.847 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CE2' HG13 ' A' ' 49' ' ' VAL . 6.6 m-30 -75.61 -45.9 34.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.898 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -40.62 -40.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 54.229999999999997 111.109 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.996 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.2 mtpp -80.51 -43.65 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.040000000000006 110.908 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -49.4 -33.89 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 61.310000000000002 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.0 m-85 -108.49 90.36 7.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 54.340000000000003 110.873 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.72 8.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.659 2.239 . . . . 74.120000000000005 112.342 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.6 19.88 52.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 71.329999999999998 112.498 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.827 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.6 163.02 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 73.400000000000006 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.811 HG12 ' HD3' ' A' ' 29' ' ' LYS . 4.3 m -97.66 -29.07 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.530000000000001 111.131 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.827 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 53.55 167.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 110.922 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 33' ' ' ILE . 1.2 tp 159.3 152.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -132.8 126.77 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 53.32 110.893 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -123.71 -176.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 111.115 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.806 ' O ' HD23 ' A' ' 70' ' ' LEU . 4.4 t0 -126.61 124.39 39.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 110.868 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 36' ' ' THR . 14.7 m -84.2 31.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 75.219999999999999 111.133 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -123.15 -15.78 7.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 72.319999999999993 110.862 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -120.51 -34.8 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.58 23.96 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.931 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.75 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.932 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.7 pt-20 -36.54 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 46.8 t -81.15 -43.83 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 43.140000000000001 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -70.52 -27.65 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 43.25 111.06 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -24.85 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 72.439999999999998 110.912 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.61 -32.99 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.030000000000001 110.923 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.8 m-85 -92.83 -15.36 26.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 63.130000000000003 110.969 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 75.310000000000002 110.876 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.557 0.694 . . . . 64.010000000000005 110.887 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.79 37.64 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 51.450000000000003 112.361 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -61.74 121.33 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 111.115 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -77.93 44.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 54.240000000000002 110.925 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.663 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.42 141.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.150000000000006 110.906 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 24.6 m-85 -119.8 151.11 39.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.889 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.816 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -137.76 77.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.409999999999997 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.734 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.0 ttpt -77.38 121.76 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 63.109999999999999 110.909 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.1 t70 83.08 -16.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.100000000000001 110.891 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.95 41.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 63.130000000000003 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' C ' HG23 ' A' ' 88' ' ' ILE . . . -143.15 -86.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 54.240000000000002 111.085 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -178.5 106.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.200000000000003 110.911 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.21 -31.74 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.229999999999997 111.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.6 m-20 157.51 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 70.209999999999994 110.894 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.51 172.54 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 51.329999999999998 110.891 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -142.36 -96.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.239999999999995 111.143 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.821 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.19 143.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 111.115 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.28 48.73 2.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 72.140000000000001 112.479 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.97 15.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 75.439999999999998 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 1.7 mpt_? -127.57 115.78 19.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.439999999999998 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.79 11.69 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 75.010000000000005 110.871 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.12 -1.81 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.530000000000001 110.885 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -115.12 -34.48 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 109' ' ' ILE . 12.7 tp -60.05 -72.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 70.230000000000004 110.943 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.854 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -52.53 -18.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.120000000000005 110.912 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -78.06 -34.19 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 63.229999999999997 110.862 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.574 HG21 ' CE1' ' A' ' 87' ' ' PHE . 1.8 m -82.54 -37.15 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 111.096 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.704 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -63.71 -23.4 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 62.229999999999997 111.17 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 106' ' ' GLN . 24.3 m -82.06 -26.66 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 65.129999999999995 111.106 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -83.77 -28.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.889 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.64 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.5 m170 -100.66 -47.12 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 73.040000000000006 110.882 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.3 t -94.56 -30.94 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.94 -19.03 78.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 71.519999999999996 112.538 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 34.310000000000002 111.089 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.878 0.371 . . . . 72.120000000000005 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.89 28.09 3.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 74.150000000000006 112.497 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -107.45 176.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 111.118 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.5 m -48.2 94.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 72.129999999999995 111.142 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.621 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.9 mm -42.58 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.049999999999997 111.129 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -146.76 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 61.119999999999997 111.134 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 19.7 p -71.49 -173.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 55.130000000000003 110.913 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 2.5 p-80 -179.84 29.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.887 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.732 HD22 ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -165.97 19.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.439999999999998 110.867 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 68.46 -66.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.91 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.732 ' HB2' HD22 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -27.39 -42.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 65.430000000000007 110.862 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -81.84 -44.71 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.889 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.09 -43.24 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.140000000000001 110.879 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.523 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.41 -33.61 76.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 50.420000000000002 110.877 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -52.34 -28.18 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 -53.01 4.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.943 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.697 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.28 -34.35 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.849 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -83.72 -24.72 31.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 111.13 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -82.18 26.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.64 -51.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 62.340000000000003 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -47.11 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.239999999999995 110.88 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.7 -41.9 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 74.209999999999994 110.89 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -67.15 -28.17 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.109999999999999 111.132 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.56 31.06 11.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 55.43 112.475 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD3' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -124.17 170.07 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 72.540000000000006 110.912 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -84.14 160.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.040000000000006 111.1 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.55 ' N ' HG13 ' A' ' 30' ' ' VAL . 49.0 t -112.11 145.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 61.340000000000003 111.182 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.879 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -141.73 98.78 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.329999999999998 111.174 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.828 HG23 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -100.28 128.63 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 111.104 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.6 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -104.24 92.07 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.210000000000001 110.899 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 37.0 m-85 -62.91 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 70.349999999999994 110.876 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.609 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 43.109999999999999 111.184 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.859 0.361 . . . . 73.319999999999993 110.911 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.12 -46.17 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.150000000000006 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.763 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.9 tt -97.39 6.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.349999999999994 111.084 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -54.21 -55.08 40.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 52.030000000000001 111.119 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -1.47 8.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 70.010000000000005 112.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 ' CE2' ' A' ' 53' ' ' TYR . 2.8 t -93.5 -43.28 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 52.409999999999997 111.096 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -67.2 -70.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.109999999999999 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.41 -48.58 13.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 32.119999999999997 111.106 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 48' ' ' PRO . 8.0 pt-20 -61.19 -35.3 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.859 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.67 ' CE2' HG13 ' A' ' 49' ' ' VAL . 9.1 m-30 -69.56 -44.88 69.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 72.120000000000005 110.894 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.33 -44.83 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 71.510000000000005 111.113 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.2 mtpp -76.97 -41.55 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 71.299999999999997 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -56.99 -24.36 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 72.540000000000006 110.875 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.5 m-85 -117.08 88.99 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 74.099999999999994 110.875 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.87 29.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 72.420000000000002 112.347 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.815 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -86.31 21.77 15.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 65.120000000000005 112.516 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.16 167.63 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 72.340000000000003 111.04 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HD3' ' A' ' 29' ' ' LYS . 6.2 m -100.06 -36.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.8 m-85 57.55 153.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.510000000000005 110.869 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.73 148.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 74.129999999999995 110.946 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.715 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.88 132.35 54.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.519999999999996 110.911 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -128.52 158.63 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.040000000000006 111.133 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.682 ' O ' HD23 ' A' ' 70' ' ' LEU . 15.9 t0 -105.41 123.91 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.884 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.3 m -82.87 35.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 73.109999999999999 111.15 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -125.95 -21.7 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.450000000000003 110.882 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 1.5 pt-20 -113.73 -36.13 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.219999999999999 110.887 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.2 pt? -126.59 22.94 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.439999999999998 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.29 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 72.510000000000005 110.893 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pt-20 -35.5 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 44.329999999999998 110.908 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 81.0 t -79.29 -46.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 111.103 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -68.0 -24.33 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.39 -24.3 60.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.884 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -81.42 -33.62 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 64.030000000000001 110.86 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.8 m-85 -91.9 -14.72 29.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 70.420000000000002 110.946 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 12.0 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 64.129999999999995 110.885 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.537 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.573 0.701 . . . . 60.310000000000002 110.858 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.75 22.26 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 53.32 112.368 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -43.53 127.71 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 111.077 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.719 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.7 45.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.918 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.26 146.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 71.200000000000003 110.919 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 33.2 m-85 -126.0 139.95 53.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 61.009999999999998 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.53 ' CG1' HD11 ' A' ' 33' ' ' ILE . 7.3 mm -127.71 76.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.430000000000007 111.143 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.5 ttmt -79.33 121.89 25.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.897 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 84.12 -13.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.858 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.34 45.37 1.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 73.230000000000004 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.98 -87.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 65.450000000000003 111.107 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -177.52 102.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 70.230000000000004 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.03 -34.62 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 63.32 111.065 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 87' ' ' PHE . 1.5 m-20 159.62 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.855 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.05 171.9 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 70.219999999999999 110.873 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 42.1 t -141.7 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 111.111 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.12 131.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 42.200000000000003 111.1 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.59 46.17 2.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 63.509999999999998 112.435 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.515 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -159.43 18.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 60.149999999999999 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.504 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.2 mpt_? -123.87 100.94 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 73.239999999999995 110.881 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 7.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 75.450000000000003 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.409 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -129.17 -5.44 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.0 110.887 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 1.9 t0 -112.85 -19.0 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 52.530000000000001 110.835 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 50' ' ' PHE . 33.3 tp -80.67 -72.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 72.530000000000001 110.901 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.734 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.84 -16.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 110.918 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.733 ' O ' HG22 ' A' ' 110' ' ' VAL . 7.3 t30 -85.26 -30.14 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 110.866 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.613 HG23 ' CE1' ' A' ' 112' ' ' HIS . 11.0 m -83.08 -40.41 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.409999999999997 111.106 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.576 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -61.27 -24.69 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 75.040000000000006 111.196 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 107' ' ' ASN . 34.3 m -78.6 -29.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.040000000000006 111.106 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -81.58 -27.74 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 72.420000000000002 110.907 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.801 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.0 m170 -101.35 -46.71 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.019999999999996 110.829 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -95.97 -29.5 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.439999999999998 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.2 -12.18 83.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 41.5 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 72.219999999999999 111.105 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.878 0.371 . . . . 73.349999999999994 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.5 19.73 5.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 73.099999999999994 112.482 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.927 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -103.19 177.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 43.520000000000003 111.16 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.849 HG22 ' HA ' ' A' ' 51' ' ' ALA . 29.3 m -53.06 95.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 111.089 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 23.8 mm -44.27 168.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -143.57 81.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.019999999999996 111.068 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.0 -179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.91 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 178.98 28.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.549999999999997 110.853 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.6 p-10 174.56 27.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 110.9 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.6 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 63.94 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.310000000000002 110.895 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -29.84 -40.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.510000000000005 110.844 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -79.46 -42.21 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.916 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.27 -39.17 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 75.099999999999994 110.927 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -69.09 -32.51 71.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 73.540000000000006 110.89 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.19 -16.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 52.130000000000003 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -106.22 -52.64 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.895 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.44 -24.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.530000000000001 110.867 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.63 -25.06 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 71.540000000000006 111.125 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -83.55 27.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.875 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.31 -44.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 70.120000000000005 111.11 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -40.05 80.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 64.120000000000005 110.898 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.1 -43.28 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 75.129999999999995 110.897 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.06 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.140000000000001 111.127 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.46 35.8 7.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 65.340000000000003 112.507 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.7 ptpt -134.15 155.44 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 72.030000000000001 110.958 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -67.59 163.49 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 50.8 t -114.47 144.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.891 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.01 97.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 111.096 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.28 125.4 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 53.520000000000003 111.156 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -103.02 96.71 6.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.892 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.639 ' C ' HG22 ' A' ' 36' ' ' THR . 50.4 m-85 -61.3 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 62.409999999999997 110.89 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 41.5 111.119 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 72.040000000000006 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -79.53 -40.84 28.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.430000000000007 110.839 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.8 tt -105.04 9.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.7 -54.89 48.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.544 0.688 . . . . 42.530000000000001 111.095 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.8 4.25 2.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 70.109999999999999 112.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.2 t -98.74 -48.6 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 111.111 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.767 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.9 m-30 -63.33 -72.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.340000000000003 110.849 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.849 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.9 -48.23 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 62.109999999999999 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -64.29 -31.49 72.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 61.299999999999997 110.86 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.656 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -70.64 -46.32 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.887 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.24 -44.36 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 70.450000000000003 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.927 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.8 mtpp -76.78 -41.29 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 65.400000000000006 110.935 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.2 mtmt -55.65 -28.29 54.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 70.409999999999997 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.3 m-85 -114.48 89.19 17.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 75.439999999999998 110.881 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -6.15 17.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.430000000000007 112.337 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.01 19.68 40.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 71.340000000000003 112.505 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.908 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.88 162.67 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 74.319999999999993 111.077 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.508 HG12 ' HD2' ' A' ' 29' ' ' LYS . 27.2 m -94.78 -33.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 53.039999999999999 111.149 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.908 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 56.25 160.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.030000000000001 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.879 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.03 150.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 65.209999999999994 110.917 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -118.36 131.85 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.420000000000002 110.924 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.837 HG12 HG22 ' A' ' 33' ' ' ILE . 2.5 p -119.19 149.76 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 64.409999999999997 111.154 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 70' ' ' LEU . 9.9 t0 -101.87 120.47 40.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 71.540000000000006 110.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.955 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.7 m -88.13 37.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 40.409999999999997 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -131.01 -24.19 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 54.310000000000002 110.819 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD22 ' A' ' 70' ' ' LEU . 2.0 pp20? -114.15 -35.05 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.909 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -125.63 26.59 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -31.67 -30.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 72.230000000000004 110.906 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -38.58 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.400000000000006 110.856 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.538 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 19.0 t -86.96 -36.69 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.955 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -74.07 -11.4 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 72.430000000000007 111.096 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.56 -20.41 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.409999999999997 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.14 -27.88 35.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.239999999999995 110.857 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.722 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.0 m-30 -99.44 -14.79 18.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.430000000000007 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 45.8 t30 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.210000000000001 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.561 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.598 0.713 . . . . 75.219999999999999 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.74 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.248 . . . . 72.510000000000005 112.377 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.23 123.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 111.149 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -86.75 64.22 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 61.450000000000003 110.887 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.808 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -51.64 145.57 8.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 52.520000000000003 110.867 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 42.6 m-85 -123.51 135.48 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 110.856 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.722 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 7.1 mm -121.74 76.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.140000000000001 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.953 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpt -77.86 121.44 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 73.040000000000006 110.908 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 8.1 t0 84.62 -17.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.240000000000002 110.816 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.26 44.52 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.713 . . . . 40.229999999999997 112.484 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.34 -86.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 73.219999999999999 111.087 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -174.23 106.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.889 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.953 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.27 -30.51 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 41.399999999999999 111.134 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 156.82 -178.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.310000000000002 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.808 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.11 -170.43 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.409999999999997 110.914 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.819 HG12 ' N ' ' A' ' 98' ' ' VAL . 41.5 t -162.48 -98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.819 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.74 125.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.319999999999993 111.139 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.22 48.1 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 71.400000000000006 112.498 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.23 13.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.010000000000005 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -127.51 113.96 16.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 62.409999999999997 110.827 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.19 4.53 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.109999999999999 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 18.0 t70 -123.09 -7.52 8.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 55.329999999999998 110.83 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.77 -23.47 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 70.409999999999997 110.869 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 109' ' ' ILE . 23.7 tp -74.35 -77.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.88 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.21 -24.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.939 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 m-80 -75.2 -36.34 61.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 54.219999999999999 110.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.633 HG21 ' CE1' ' A' ' 87' ' ' PHE . 11.5 m -79.11 -37.52 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 111.196 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.569 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -65.22 -26.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.11 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.0 m -79.03 -28.63 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 54.210000000000001 111.097 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -81.6 -26.17 35.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.842 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.891 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.3 m170 -103.59 -47.8 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.895 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -94.12 -30.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.4 -11.0 85.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 74.409999999999997 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 64.109999999999999 111.072 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.918 0.389 . . . . 74.239999999999995 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.73 22.14 5.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 54.219999999999999 112.491 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.77 176.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 74.25 111.138 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.9 m -50.56 96.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.349999999999994 111.135 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 32.8 mm -42.2 166.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.76 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -145.98 75.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 63.119999999999997 111.068 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 17.0 p -75.65 -168.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 73.030000000000001 110.863 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 175.09 30.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 55.310000000000002 110.839 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.88 21.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 51.119999999999997 110.866 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.623 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 67.24 -68.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.89 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.557 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -24.76 -46.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.899 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -80.62 -44.22 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.879 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -50.56 -41.99 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.239999999999995 110.88 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -64.74 -37.69 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.210000000000001 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.82 -22.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 63.399999999999999 111.137 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.69 -51.3 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 71.510000000000005 110.897 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.51 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.4 -17.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 54.329999999999998 110.865 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.55 -20.87 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.319999999999993 111.182 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -82.79 20.5 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.120000000000005 110.925 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 29' ' ' LYS . . . -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.519999999999996 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -68.01 -47.15 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.873 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -43.59 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 110.901 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.67 -26.42 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.349999999999994 111.072 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.89 30.73 22.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 42.439999999999998 112.517 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.84 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -122.04 148.91 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 70.219999999999999 110.929 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -64.36 162.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 62.020000000000003 111.117 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.588 ' N ' HG13 ' A' ' 30' ' ' VAL . 39.8 t -114.82 152.61 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.030000000000001 111.16 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.5 mp -144.69 94.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.329999999999998 111.132 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.006 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -92.68 121.02 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.094 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -100.78 92.64 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.852 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.716 ' O ' HG22 ' A' ' 36' ' ' THR . 54.2 m-85 -65.74 -165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 74.319999999999993 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 35' ' ' PHE . 1.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.168 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 74.439999999999998 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -76.18 -45.78 31.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 110.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -104.33 9.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.450000000000003 111.118 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.671 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -55.32 -55.34 40.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 63.509999999999998 111.066 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.2 Cg_endo -69.71 4.5 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.718 2.279 . . . . 73.450000000000003 112.365 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.635 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.6 t -100.48 -48.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.530000000000001 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -61.71 -71.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 54.140000000000001 110.822 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -51.06 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.420000000000002 111.072 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.7 pt-20 -59.69 -30.77 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.1 m-30 -73.54 -47.45 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.540000000000006 110.933 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.49 -42.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 55.130000000000003 111.103 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.8 mtpp -77.77 -39.95 42.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 7.2 mtmt -55.4 -31.34 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 110.93 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.642 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.4 m-85 -110.24 90.19 9.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 75.019999999999996 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.2 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 65.549999999999997 112.348 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.805 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.96 21.45 44.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.872 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.74 163.79 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 44.299999999999997 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 29' ' ' LYS . 15.0 m -96.85 -35.09 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.409999999999997 111.157 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.872 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 91.5 m-85 57.02 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 60.450000000000003 110.935 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.006 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 164.17 149.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.902 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.18 133.64 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.549999999999997 110.856 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.738 HG23 HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -132.99 160.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 111.116 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -109.28 119.42 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.230000000000004 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.629 HG12 ' CD1' ' A' ' 35' ' ' PHE . 11.5 m -76.84 36.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 66' ' ' ASP . 33.7 t0 -128.08 -21.97 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -109.84 -38.98 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.019999999999996 110.871 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -127.65 21.71 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.899 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.85 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 110.847 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.2 pt-20 -34.7 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 55.409999999999997 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 63.1 t -78.34 -47.12 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.673 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -62.35 -32.14 72.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 70.409999999999997 111.089 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.55 -26.28 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.340000000000003 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.566 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -75.97 -29.6 58.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.612 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.3 m-85 -95.83 -24.33 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.450000000000003 110.912 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 6.4 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 71.140000000000001 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.522 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.569 0.699 . . . . 64.099999999999994 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.4 Cg_endo -69.75 37.67 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 62.009999999999998 112.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.6 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -55.63 129.56 39.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 74.340000000000003 111.124 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.702 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -86.13 41.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 110.881 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -33.97 146.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 71.200000000000003 110.914 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.694 ' H ' HD13 ' A' ' 86' ' ' LEU . 29.9 m-85 -123.61 156.53 35.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.843 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -142.25 80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 73.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.707 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -81.28 120.36 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 63.329999999999998 110.933 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 6.1 t0 82.88 -9.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.120000000000005 110.832 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.9 43.26 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 30.34 112.459 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.54 -90.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.315 . . . . 33.5 111.09 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD11 ' A' ' 86' ' ' LEU . 20.2 tt0 -174.66 99.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -79.96 -35.79 37.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 111.061 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 87' ' ' PHE . 4.3 m-20 161.26 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.851 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.871 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.35 171.82 13.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 110.908 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 98' ' ' VAL . 65.0 t -144.39 -101.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 45.039999999999999 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 169.22 139.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.150000000000006 111.179 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -87.45 42.84 3.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 60.030000000000001 112.468 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.68 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.38 12.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.308 . . . . 73.219999999999999 111.108 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.445 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -122.18 116.89 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 110.887 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -92.86 13.77 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 71.150000000000006 110.934 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.95 -3.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.310000000000002 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.22 -30.92 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.030000000000001 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 10.0 tp -61.64 -72.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 60.109999999999999 110.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.771 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.73 -34.91 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 42.43 110.913 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 110' ' ' VAL . 6.2 t30 -66.02 -29.34 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.549999999999997 110.865 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.606 HG23 ' CE1' ' A' ' 112' ' ' HIS . 16.4 m -84.23 -44.49 13.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.530000000000001 111.147 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.1 mp -58.6 -25.89 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.4 m -79.28 -29.09 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.510000000000005 111.159 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.49 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 2.0 ptmt -81.25 -27.68 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 51.25 110.867 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.624 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.6 m170 -101.73 -47.46 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.120000000000005 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -94.7 -30.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.129 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.03 -10.15 86.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 42.5 112.48 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 73.319999999999993 111.097 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.772 0.32 . . . . 63.210000000000001 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -121.97 -18.61 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 61.450000000000003 111.099 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.58 39.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 63.43 111.124 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ALA . 3.3 tm-20 60.4 93.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 110.914 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.1 mm-40 -92.47 -155.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 63.520000000000003 110.85 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.27 31.35 3.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 44.43 112.468 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -109.83 -178.45 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 74.140000000000001 111.118 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 28.4 m -52.95 95.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.109999999999999 111.16 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.0 mm -43.39 168.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -138.73 60.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -47.48 159.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.230000000000004 110.843 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 10' ' ' ALA . 87.1 m-70 -165.26 36.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.519999999999996 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.3 p-10 -178.77 26.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 42.549999999999997 110.873 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.663 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.9 -69.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.904 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.61 -46.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.209999999999994 110.87 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -39.71 66.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 62.210000000000001 110.883 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.31 -39.83 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 55.240000000000002 110.891 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.574 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.51 -40.6 80.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 64.219999999999999 110.871 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.87 -22.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 42.32 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LYS . 17.6 mp0 -105.24 -54.34 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 62.509999999999998 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -46.31 -25.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.100000000000001 110.888 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.07 -25.21 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 111.106 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.5 mttm -82.86 22.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.230000000000004 110.883 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.08 -45.74 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.420000000000002 111.078 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -42.14 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 73.230000000000004 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -86.89 -39.41 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 64.030000000000001 110.872 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -64.34 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 111.078 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 36.26 7.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 54.020000000000003 112.432 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.5 ptpt -136.32 157.37 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 65.129999999999995 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.31 163.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 71.239999999999995 111.118 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.594 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -113.36 143.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.129999999999995 111.126 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.878 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.3 mp -141.32 97.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 60.140000000000001 111.128 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -99.05 128.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 71.219999999999999 111.111 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 4.3 t0 -101.85 89.06 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.109999999999999 110.828 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.717 ' CD2' HG11 ' A' ' 79' ' ' VAL . 32.3 m-85 -61.73 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 55.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.859 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 161.71 136.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.109999999999999 111.12 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . -69.01 -66.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 64.329999999999998 111.091 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.06 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 50.539999999999999 110.876 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.431 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 4.3 m-90 -92.94 -37.75 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.400000000000006 110.889 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 39' ' ' TRP . 2.0 m 77.78 -59.0 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 60.43 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.73 -104.72 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 25.210000000000001 112.516 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 53.3 Cg_endo -69.82 -52.44 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.7 2.267 . . . . 64.010000000000005 112.287 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' PRO . 0.7 OUTLIER 35.02 31.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 73.219999999999999 110.849 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 42' ' ' PRO . 10.9 mtt180 -158.43 -48.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.420000000000002 110.864 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.6 -43.12 85.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.349999999999994 110.871 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.09 8.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 63.530000000000001 111.115 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.669 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -55.94 -55.2 43.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 70.439999999999998 111.091 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.669 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.74 4.23 2.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 62.240000000000002 112.372 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.8 t -98.78 -49.08 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 63.539999999999999 111.092 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.7 m-30 -63.16 -71.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 54.340000000000003 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.03 -48.98 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 64.010000000000005 111.079 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -63.25 -31.45 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 75.420000000000002 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -70.83 -44.99 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.911 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.18 -43.42 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 63.229999999999997 111.087 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.924 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.3 mtpp -78.65 -42.06 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 6.8 mtmt -54.01 -27.42 31.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 64.349999999999994 110.872 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.2 m-85 -115.27 90.3 23.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.209999999999994 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.56 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 72.450000000000003 112.348 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.802 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.43 20.07 43.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 33.43 112.485 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.902 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.51 164.64 34.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 32.329999999999998 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HD2' ' A' ' 29' ' ' LYS . 30.7 m -97.38 -36.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 61.020000000000003 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.902 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.0 m-85 58.31 152.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.099999999999994 110.85 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.936 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 170.48 149.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 110.96 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.665 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.1 133.36 53.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 62.140000000000001 110.889 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -127.92 167.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 53.240000000000002 111.118 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.3 t0 -113.77 122.3 46.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 72.329999999999998 110.836 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 36' ' ' THR . 6.2 m -82.56 34.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.150000000000006 111.138 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 -18.36 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.150000000000006 110.886 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -118.68 -32.56 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.61 23.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.329999999999998 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.67 -34.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 110.949 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -36.13 -28.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 70.340000000000003 110.873 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 70' ' ' LEU . 28.4 t -78.16 -44.79 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.140000000000001 111.104 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -68.31 -33.18 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.230000000000004 111.111 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.06 -23.36 66.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 70.319999999999993 110.854 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -80.22 -32.62 38.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.530000000000001 110.895 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.552 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-85 -96.35 -16.0 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.219999999999999 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.75 72.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 75.120000000000005 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -105.59 -31.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 35.219999999999999 111.09 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.3 OUTLIER 86.22 -70.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.509999999999998 110.838 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 169.11 97.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 54.509999999999998 111.079 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.519 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 174.93 168.69 0.34 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 74.209999999999994 110.903 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.5 Cg_endo -69.82 36.31 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.641 2.227 . . . . 65.409999999999997 112.331 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.621 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -58.88 120.28 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.019999999999996 111.118 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -81.78 40.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.150000000000006 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.12 142.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 64.129999999999995 110.946 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.2 m-85 -118.62 155.01 31.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.049999999999997 110.907 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -139.34 74.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.099999999999994 111.144 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.725 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 11.3 ttmt -76.68 123.55 26.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.010000000000005 110.874 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 1.9 t70 81.49 -6.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.349999999999994 110.871 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.97 43.2 3.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 75.329999999999998 112.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.67 -86.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 42.140000000000001 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -177.6 103.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 70.109999999999999 110.913 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.48 -33.92 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 51.210000000000001 111.12 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.18 179.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 110.86 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -133.38 170.1 15.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 71.209999999999994 110.937 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 34.3 t -141.44 -95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.409999999999997 111.135 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 159.32 144.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 111.124 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -91.9 49.23 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 63.109999999999999 112.47 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.537 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.5 14.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 74.019999999999996 111.112 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 7.8 mpt_? -127.0 110.43 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.430000000000007 110.838 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -83.06 7.2 16.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 62.399999999999999 110.91 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -126.59 -8.21 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 65.230000000000004 110.851 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.74 -18.86 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.4 tp -78.72 -75.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.229999999999997 110.951 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.773 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.86 -18.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.299999999999997 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.707 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.9 t30 -80.24 -33.75 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.329999999999998 110.88 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.628 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.3 m -81.6 -40.54 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.239999999999995 111.146 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -60.86 -26.44 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.430000000000007 111.151 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.5 m -78.24 -29.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 111.153 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.39 -27.9 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.340000000000003 110.919 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.79 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.8 m170 -101.29 -47.9 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.540000000000006 110.827 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.802 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -93.99 -31.45 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 50.509999999999998 111.112 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.52 72.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 62.140000000000001 112.525 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 54.92 14.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 63.450000000000003 111.054 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.95 -32.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 73.5 111.143 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.76 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 53.39 86.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 71.049999999999997 111.092 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.55 55.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 62.350000000000001 111.102 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.84 89.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.010000000000005 110.856 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 56.29 168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.450000000000003 111.094 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -136.11 -45.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.319999999999993 111.091 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mtt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.829 0.347 . . . . 74.150000000000006 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 51.82 -99.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 65.540000000000006 111.162 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 72.14 69.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 34.5 111.107 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 50.5 98.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.329999999999998 110.914 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 2' ' ' ALA . 2.0 mm-40 -103.73 -153.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 73.349999999999994 110.884 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 27.51 4.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 71.510000000000005 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -107.43 178.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 75.209999999999994 111.131 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 51' ' ' ALA . 32.6 m -50.89 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.349999999999994 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 10' ' ' ALA . 22.6 mm -42.36 167.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 111.145 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -140.73 79.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 61.109999999999999 111.104 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 26.3 p -68.29 177.42 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.896 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 27.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 110.851 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -174.8 27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.340000000000003 110.898 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.83 ' H ' HD13 ' A' ' 70' ' ' LEU . 3.6 ttmt 66.59 -67.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 64.219999999999999 110.894 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -27.32 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 61.240000000000002 110.891 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -81.75 -44.13 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.895 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.91 -35.78 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 64.519999999999996 110.882 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.607 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.3 -45.46 69.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.420000000000002 110.852 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.93 -23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 111.08 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' NE2' HG13 ' A' ' 9' ' ' ILE . 2.0 mp0 -104.85 -51.08 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.864 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.95 -31.08 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 110.917 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -92.13 -19.89 21.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 64.120000000000005 111.18 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.84 23.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.040000000000006 110.882 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.5 -51.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 65.519999999999996 111.037 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -60.03 -51.0 71.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.329999999999998 110.851 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.7 -44.96 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.439999999999998 110.924 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.588 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.7 -26.63 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 62.299999999999997 111.105 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.65 34.18 16.83 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.695 -0.764 . . . . 33.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -127.2 161.18 29.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 71.209999999999994 110.904 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -74.02 161.4 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.420000000000002 111.132 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 53.1 t -116.48 150.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 111.09 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.41 94.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 73.099999999999994 111.102 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.833 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -95.65 127.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 111.111 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.76 93.62 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.099999999999994 110.851 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 1.017 ' CE2' HG11 ' A' ' 79' ' ' VAL . 31.4 m-85 -64.65 -167.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.010000000000005 110.838 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 162.8 139.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 64.5 111.201 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -83.31 -63.81 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 53.100000000000001 111.085 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.8 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 63.109999999999999 110.837 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 15.4 p90 -105.97 -49.69 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 65.439999999999998 110.935 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.53 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 7.9 t -64.79 104.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 72.120000000000005 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.81 122.56 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 74.299999999999997 112.521 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 71.120000000000005 112.389 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.2 t 50.52 20.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 110.908 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -136.81 -54.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.549999999999997 110.811 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -68.24 -42.3 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 65.230000000000004 110.927 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.0 tt -104.02 10.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 71.519999999999996 111.121 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.49 -54.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 55.140000000000001 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 3.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.200000000000003 112.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.655 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.3 t -98.24 -48.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.0 m-30 -63.98 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 53.439999999999998 110.865 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.848 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -43.89 -49.29 8.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 65.219999999999999 111.077 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -62.71 -33.44 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 73.099999999999994 110.857 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.655 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-30 -69.16 -44.8 71.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 110.913 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.82 -43.03 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 63.43 111.128 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.981 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.0 mtpp -78.96 -42.96 25.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 64.239999999999995 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -54.15 -25.29 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.230000000000004 110.86 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 14.3 m-85 -117.73 89.07 32.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 74.519999999999996 110.866 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.07 17.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 63.409999999999997 112.344 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.76 19.81 42.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 74.530000000000001 112.517 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.903 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.88 168.1 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.010000000000005 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.651 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.1 m -101.16 -34.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 52.310000000000002 111.113 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.903 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 55.93 161.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 60.340000000000003 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.833 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.22 147.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.692 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -116.26 132.29 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 64.420000000000002 110.909 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.812 ' CG2' HD21 ' A' ' 70' ' ' LEU . 14.7 p -121.97 161.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 61.210000000000001 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 t0 -116.26 113.02 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.86 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 67' ' ' VAL . 2.6 m -78.63 39.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.32 111.153 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.92 -21.62 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.851 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -115.64 -35.31 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.937 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.83 HD13 ' H ' ' A' ' 14' ' ' LYS . 1.9 pt? -126.99 24.83 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 70.030000000000001 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.040000000000006 110.93 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 pt-20 -33.56 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.129999999999995 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -74.51 -47.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 65.310000000000002 111.107 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.729 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -65.8 -24.52 66.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 70.439999999999998 111.099 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.84 -19.43 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 64.420000000000002 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -86.67 -29.18 22.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.230000000000004 110.86 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.7 m-30 -98.71 -14.99 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.450000000000003 110.916 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 65.69 69.76 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.530000000000001 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.017 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.1 m -101.6 -23.99 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.209999999999994 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.2 OUTLIER 88.98 -72.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 73.319999999999993 110.863 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 166.71 60.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 61.140000000000001 111.095 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.54 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -142.14 170.61 8.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 72.129999999999995 110.881 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.79 21.3 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.319999999999993 112.371 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -46.11 128.76 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 65.030000000000001 111.138 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -89.1 43.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 72.519999999999996 110.892 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.58 140.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 27.7 m-85 -120.33 143.68 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.140000000000001 110.862 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.764 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -128.7 82.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 62.409999999999997 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.917 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -83.89 122.56 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.430000000000007 110.904 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.8 t70 82.4 -10.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 70.299999999999997 110.848 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.23 48.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 64.430000000000007 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -153.0 -85.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 33.420000000000002 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -176.34 107.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.420000000000002 110.875 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.95 -32.51 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 54.119999999999997 111.102 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.0 m-20 157.83 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 71.129999999999995 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.87 -176.05 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.832 HG12 ' N ' ' A' ' 98' ' ' VAL . 30.2 t -155.88 -94.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 62.140000000000001 111.116 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.832 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 160.04 133.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.069 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -85.71 45.91 3.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 74.200000000000003 112.463 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.538 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.48 18.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 74.450000000000003 111.102 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -128.58 115.35 17.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 65.340000000000003 110.894 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 8.84 20.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.109999999999999 110.882 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.425 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 30.3 t70 -124.83 -10.96 7.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.420000000000002 110.872 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.487 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -107.02 -21.7 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 71.319999999999993 110.914 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 109' ' ' ILE . 30.3 tp -77.41 -76.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.79 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.38 -20.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.099999999999994 110.93 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.98 -34.47 33.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.420000000000002 110.874 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.541 HG23 ' CE1' ' A' ' 112' ' ' HIS . 20.8 m -80.1 -41.07 26.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 71.120000000000005 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.16 -26.78 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.400000000000006 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.5 m -78.84 -28.69 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 45.43 111.148 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -81.3 -28.6 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 65.230000000000004 110.9 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.758 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.7 m170 -100.97 -45.0 5.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.239999999999995 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -97.0 -30.38 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.43 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.46 -11.64 68.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 54.219999999999999 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 116' ' ' THR . . . 53.99 105.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 73.219999999999999 111.106 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.7 m 84.6 64.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 111.097 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.596 ' HB2' ' CB ' ' A' ' 111' ' ' LYS . . . -31.54 119.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 53.329999999999998 111.072 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -36.94 -51.63 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 70.200000000000003 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 m 62.28 89.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.519999999999996 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' ALA . . . -147.18 148.85 31.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 72.129999999999995 111.106 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.6 m 46.18 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.310000000000002 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 74.109999999999999 111.08 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.784 0.325 . . . . 74.209999999999994 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -104.61 -14.8 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.310000000000002 111.063 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.93 43.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 44.420000000000002 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' CG ' HD12 ' A' ' 9' ' ' ILE . 1.4 tt0 58.08 89.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 110.89 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 3.7 mm-40 -88.92 -157.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 60.439999999999998 110.902 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.3 26.91 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.409999999999997 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 175.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 70.209999999999994 111.119 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.5 m -50.34 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.549999999999997 111.103 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.619 HG22 ' N ' ' A' ' 10' ' ' ALA . 21.4 mm -46.2 167.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 62.509999999999998 111.153 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.23 83.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.109999999999999 111.125 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 23.3 p -67.37 179.42 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.866 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 5.2 m80 -177.15 37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 71.430000000000007 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 176.57 24.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.530000000000001 110.89 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 66.88 -67.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 110.873 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -27.95 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.874 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -80.12 -44.44 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.862 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.11 -35.82 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.019999999999996 110.865 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 2.3 m-20 -73.2 -33.72 65.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.24 -22.62 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.310000000000002 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.18 -51.7 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.099999999999994 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.36 -19.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 61.149999999999999 110.878 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.11 -19.09 15.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 62.409999999999997 111.202 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.42 19.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 71.030000000000001 110.898 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.672 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.26 -45.78 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.120000000000005 111.132 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -62.69 -48.63 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.22 -47.37 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.409999999999997 110.868 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -64.19 -27.48 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 64.409999999999997 111.11 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.4 35.73 11.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 60.140000000000001 112.516 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.789 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -128.0 158.29 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 71.450000000000003 110.925 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -70.13 161.94 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 75.129999999999995 111.144 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.672 HG23 ' CB ' ' A' ' 24' ' ' ALA . 19.9 t -116.9 149.03 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 65.310000000000002 111.142 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.26 95.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 111.152 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -94.98 129.78 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.31 92.81 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.310000000000002 110.855 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.878 ' CD2' HG11 ' A' ' 79' ' ' VAL . 43.4 m-85 -65.97 -167.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.230000000000004 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.933 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER 164.83 142.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.420000000000002 111.145 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -83.53 -64.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 53.25 111.091 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -170.92 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.823 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -77.81 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 110.963 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.0 t 76.37 157.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 60.240000000000002 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.67 -114.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 65.420000000000002 112.508 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 53.4 Cg_endo -69.83 -61.54 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.683 2.255 . . . . 22.34 112.298 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.952 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.6 OUTLIER 76.95 -42.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 64.340000000000003 110.844 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -100.76 -32.67 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 71.129999999999995 110.872 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HB3' ' HB2' ' A' ' 42' ' ' PRO . 34.2 t80 -69.93 -42.35 73.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 71.409999999999997 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.784 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 tt -105.92 10.95 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.310000000000002 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.952 ' HB2' ' O ' ' A' ' 43' ' ' CYS . . . -57.79 -55.79 41.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 61.539999999999999 111.107 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.75 4.98 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 72.209999999999994 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.707 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 11.4 t -99.2 -48.66 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.7 m-30 -63.66 -72.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.340000000000003 110.862 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.1 -48.86 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 111.115 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.54 -33.41 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 72.109999999999999 110.916 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.707 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.8 m-30 -69.2 -46.01 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 73.040000000000006 110.923 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.81 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.77 -44.06 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 53.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.89 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.0 mtpp -77.13 -43.21 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.6 mtmt -54.7 -25.52 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.200000000000003 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.6 m-85 -117.08 87.75 24.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.74 . . . . 72.140000000000001 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.91 14.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 60.240000000000002 112.403 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.76 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 18.84 51.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 70.239999999999995 112.497 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.851 ' HB1' ' CD1' ' A' ' 32' ' ' ILE . . . -145.31 171.31 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 74.129999999999995 111.129 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.789 HG12 ' HD3' ' A' ' 29' ' ' LYS . 10.6 m -104.02 -34.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.010000000000005 111.129 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.1 m-85 55.96 160.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.92 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.77 147.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 73.409999999999997 110.921 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.21 135.88 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.219999999999999 110.909 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.2 165.66 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.530000000000001 111.148 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 t0 -114.58 115.73 27.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 60.130000000000003 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 36' ' ' THR . 4.3 m -80.13 38.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 53.450000000000003 111.072 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -128.93 -22.29 3.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 110.852 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' OE2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.82 -33.0 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.891 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -128.41 20.73 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 110.885 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.209999999999994 110.892 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.5 pt-20 -34.33 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 71' ' ' LYS . 76.4 t -76.36 -46.74 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 64.349999999999994 111.087 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.652 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -64.58 -33.06 75.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 51.240000000000002 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.98 -24.5 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 61.329999999999998 110.911 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.44 -31.61 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.319999999999993 110.885 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.9 m-85 -98.51 -14.72 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 110.897 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 69.4 69.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 74.230000000000004 110.929 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.878 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -98.88 -29.43 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.310000000000002 111.086 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.1 mm-40 91.89 -72.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 110.874 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.657 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 167.14 58.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 60.520000000000003 111.116 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.57 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -143.8 171.36 6.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 64.299999999999997 110.859 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 54.1 Cg_endo -69.76 22.66 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.234 . . . . 53.340000000000003 112.41 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.1 128.24 5.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 111.193 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.645 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -88.71 40.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.140000000000001 110.911 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.51 142.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.519999999999996 110.899 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 19.9 m-85 -120.02 152.78 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 4.8 mm -137.71 77.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.140000000000001 111.16 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttpt -78.56 123.73 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.120000000000005 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.1 t0 81.61 -12.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 65.310000000000002 110.89 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.0 44.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.25 112.524 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.73 -87.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 45.340000000000003 111.131 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -175.72 107.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 54.32 110.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -90.85 -32.52 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 62.32 111.129 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.69 178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.853 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.21 174.47 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.874 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 98' ' ' VAL . 50.1 t -146.53 -98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 111.13 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 166.92 135.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 63.0 111.099 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.23 43.42 3.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 63.310000000000002 112.512 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.33 14.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.318 . . . . 72.340000000000003 111.084 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -123.46 113.0 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 61.43 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.4 4.65 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 110.911 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 14.4 t70 -125.92 -7.9 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.439999999999998 110.891 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -108.82 -18.46 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 110.865 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 50' ' ' PHE . 35.0 tp -80.34 -75.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.109999999999999 110.949 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.739 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.85 -19.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.319999999999993 110.916 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -79.46 -34.55 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.150000000000006 110.881 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.596 HG23 ' CE1' ' A' ' 112' ' ' HIS . 2.6 m -80.52 -38.05 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.230000000000004 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -63.34 -26.27 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 63.409999999999997 111.077 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.0 m -79.13 -30.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.082 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -79.09 -28.2 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.409999999999997 110.873 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.787 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.7 m170 -101.51 -47.2 4.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 72.230000000000004 110.816 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.6 t -94.51 -30.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.240000000000002 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.68 -17.72 74.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 52.109999999999999 112.446 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 116' ' ' THR . . . 52.73 15.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 50.450000000000003 111.103 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -158.77 52.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 75.010000000000005 111.151 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.694 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . -32.35 147.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 73.239999999999995 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.16 -67.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.109999999999999 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 t -88.74 -50.56 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 63.229999999999997 110.859 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.611 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . . . -38.3 -60.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 111.127 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 2.2 t 68.33 39.31 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 72.140000000000001 110.907 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 71.430000000000007 111.097 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.772 0.32 . . . . 64.25 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.66 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . -77.56 -97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.109999999999999 111.111 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 81.57 51.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 72.409999999999997 111.104 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 57.7 90.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.85 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.62 -149.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.209999999999994 110.923 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.57 30.5 4.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 71.400000000000006 112.521 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.944 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.4 m -110.04 -179.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 71.319999999999993 111.132 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.829 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 26.9 m -51.8 95.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 43.219999999999999 111.146 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 10' ' ' ALA . 30.2 mm -42.06 165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.138 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.624 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -135.94 60.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.030000000000001 111.123 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 160.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 110.842 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -167.1 35.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.430000000000007 110.84 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.7 OUTLIER 178.1 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.510000000000005 110.914 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.62 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.109999999999999 110.907 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.34 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 61.439999999999998 110.899 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.19 -42.64 20.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 71.219999999999999 110.86 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.38 -39.38 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.853 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.6 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -68.74 -39.27 80.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 64.340000000000003 110.88 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ASP . 1.2 mp0 -107.22 -52.15 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.86 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.57 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.97 -25.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.150000000000006 110.861 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.64 -23.13 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 65.450000000000003 111.122 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.2 mttm -84.19 27.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.540000000000006 110.829 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.89 -45.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.310000000000002 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.898 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.14 -39.9 15.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 71.439999999999998 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 -30.28 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.48 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 42.520000000000003 112.536 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -133.24 158.99 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 65.299999999999997 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.774 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -71.36 160.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 65.120000000000005 111.141 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.2 t -113.0 146.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.111 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.87 96.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.18 127.53 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.549999999999997 111.167 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t70 -102.43 84.69 2.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.099999999999994 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.936 ' CE2' HG11 ' A' ' 79' ' ' VAL . 29.6 m-85 -56.22 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 110.919 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 164.38 129.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 111.096 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -67.06 -79.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 44.039999999999999 111.129 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.72 -40.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.861 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -124.74 -52.43 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 62.25 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -38.16 108.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 74.129999999999995 110.909 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.22 143.81 4.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 75.150000000000006 112.429 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 65.099999999999994 112.311 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m 48.76 31.22 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 73.400000000000006 110.889 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -155.32 -62.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 110.888 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CG ' ' A' ' 44' ' ' ARG . 81.6 t80 -56.27 -42.4 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.843 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.29 10.97 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.310000000000002 111.118 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.21 -54.8 50.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 73.120000000000005 111.088 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.78 4.82 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 75.430000000000007 112.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.5 t -99.55 -48.46 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.25 111.069 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.23 -71.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.530000000000001 110.86 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -49.27 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.109999999999999 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.15 -32.68 73.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.350000000000001 110.875 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -69.91 -45.91 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 110.907 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.88 -43.8 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 52.030000000000001 111.066 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.4 mtpp -78.32 -42.24 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.8 mtmt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.040000000000006 110.906 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.9 m-85 -110.45 89.1 8.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 72.430000000000007 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.8 10.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 73.140000000000001 112.345 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.762 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.01 19.11 54.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 45.420000000000002 112.514 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.37 163.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 24.449999999999999 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 28.2 m -95.55 -37.37 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 65.239999999999995 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.925 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.9 m-85 58.93 150.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.885 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.6 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 175.4 151.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.030000000000001 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.48 127.69 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.340000000000003 110.89 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -123.81 166.56 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.039999999999999 111.138 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.804 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.8 t0 -110.45 120.6 42.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 74' ' ' ALA . 21.9 m -82.58 34.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.230000000000004 111.079 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.86 -19.26 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 54.43 110.848 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.554 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 8.8 pt-20 -117.06 -33.09 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.230000000000004 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.25 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.938 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.3 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.879 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.5 pm0 -35.88 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 74.109999999999999 110.917 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 17' ' ' PHE . 57.7 t -79.75 -44.97 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 62.450000000000003 111.091 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -69.15 -35.28 76.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 45.539999999999999 111.125 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.72 -26.57 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.299999999999997 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.66 -34.03 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.049999999999997 110.874 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.5 m-85 -93.52 -13.12 28.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.400000000000006 110.927 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 65.31 69.82 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.299999999999997 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.936 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -103.2 -23.03 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.109999999999999 111.114 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.5 mm-40 89.07 -72.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 74.040000000000006 110.869 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.618 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 166.44 59.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.129999999999995 111.095 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.556 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -141.16 170.67 8.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.514 0.673 . . . . 75.340000000000003 110.9 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.71 21.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.721 2.281 . . . . 62.229999999999997 112.346 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.77 128.75 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 64.030000000000001 111.155 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -86.35 38.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.7 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.55 143.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.209999999999994 110.921 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -120.75 157.21 30.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.039999999999999 110.836 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.799 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -142.03 75.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.140000000000001 111.118 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttpt -77.34 122.01 24.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.903 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 83.69 -13.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.887 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.55 42.94 1.92 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 74.340000000000003 112.504 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.68 -88.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.31 . . . . 54.210000000000001 111.086 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.43 104.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.200000000000003 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.91 -33.48 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 45.219999999999999 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.05 179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.310000000000002 110.862 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.682 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.47 171.78 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.796 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.5 t -142.83 -95.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 75.219999999999999 111.118 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.796 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.17 131.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.010000000000005 111.17 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.08 43.68 2.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 71.209999999999994 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.37 14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 74.219999999999999 111.069 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.3 mpt_? -124.65 113.86 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.230000000000004 110.878 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.81 11.96 16.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.925 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.87 -4.21 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 52.240000000000002 110.855 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -112.63 -34.92 5.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 62.030000000000001 110.904 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.577 HD22 ' CE1' ' A' ' 50' ' ' PHE . 12.8 tp -60.75 -70.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.409999999999997 110.946 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.829 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -51.76 -22.75 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 62.229999999999997 110.891 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.0 OUTLIER -75.92 -30.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.43 110.91 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.601 HG23 ' CE1' ' A' ' 112' ' ' HIS . 1.5 m -84.43 -40.72 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 73.310000000000002 111.145 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.72 -24.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.010000000000005 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.1 m -79.6 -28.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.109999999999999 111.116 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 1.3 ptmt -81.7 -28.22 33.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.450000000000003 110.89 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.774 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.6 m170 -100.37 -48.51 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 110.856 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 59' ' ' GLY . 4.1 t -94.24 -30.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -77.97 -9.29 87.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 60.109999999999999 112.479 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . 36.73 41.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 61.240000000000002 111.103 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.3 m -161.91 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 64.310000000000002 111.123 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.712 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 52.71 176.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.116 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.79 152.68 50.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 54.409999999999997 111.095 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.53 119.42 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.439999999999998 110.875 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.85 169.13 21.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.16 -55.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 74.120000000000005 110.859 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.109999999999999 111.084 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.763 0.316 . . . . 55.310000000000002 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.11 -109.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 55.109999999999999 111.072 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.31 11.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 75.129999999999995 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -179.74 55.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 110.854 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.67 -148.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.019999999999996 110.905 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.3 24.53 3.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 74.230000000000004 112.497 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.935 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -108.44 177.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 73.239999999999995 111.131 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 51' ' ' ALA . 24.9 m -51.41 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 52.210000000000001 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.653 HG22 ' N ' ' A' ' 10' ' ' ALA . 35.7 mm -42.99 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.530000000000001 111.15 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.653 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.36 58.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 111.078 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.575 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.89 162.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.420000000000002 110.882 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 9.1 p80 -169.62 33.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.310000000000002 110.875 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.0 p-10 -174.75 25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 53.100000000000001 110.852 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.93 -70.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.329999999999998 110.917 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -28.99 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.875 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.3 mt-10 -79.54 -43.56 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 110.827 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.07 -39.45 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.851 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -66.86 -45.0 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.49 -24.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 111.098 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.9 mp0 -101.13 -57.61 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.329999999999998 110.907 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.592 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.67 -21.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.409999999999997 110.906 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -95.61 -26.91 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.130000000000003 111.14 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.1 mttt -82.5 22.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.239999999999995 110.899 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -120.96 -46.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.340000000000003 111.077 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -38.57 86.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 73.239999999999995 110.874 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -89.28 -41.53 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.882 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.23 35.6 6.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 63.149999999999999 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.3 ptpt -136.48 155.17 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 62.409999999999997 110.865 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.18 163.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.150000000000006 111.152 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.609 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -114.37 146.67 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 63.25 111.114 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.852 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.5 96.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.092 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.26 126.77 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 44.039999999999999 111.145 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t0 -100.28 91.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.857 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 1.111 ' CD2' HG21 ' A' ' 79' ' ' VAL . 12.5 m-85 -61.92 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 64.540000000000006 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.854 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 164.46 141.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 44.310000000000002 111.158 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.029 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . -76.36 -144.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.129999999999995 111.101 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -96.84 -26.49 15.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.540000000000006 110.83 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.23 21.1 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 70.120000000000005 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.78 104.0 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.49 128.05 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 35.539999999999999 112.469 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 75.219999999999999 112.352 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 41.34 37.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 61.030000000000001 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -142.25 -57.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.099999999999994 110.832 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.8 -42.82 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.040000000000006 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -103.53 11.17 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 111.079 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.23 -54.26 56.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 72.219999999999999 111.132 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 53.310000000000002 112.344 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.609 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.5 t -99.29 -48.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 55.219999999999999 111.158 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.1 m-30 -63.79 -71.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 65.439999999999998 110.903 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.07 -48.96 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 71.549999999999997 111.12 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.3 pt-20 -62.88 -33.04 74.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.209999999999994 110.914 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.7 m-30 -69.52 -46.46 66.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.11 -44.15 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 61.43 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.935 ' HD2' HG12 ' A' ' 7' ' ' VAL . 10.4 mtpp -76.43 -39.67 52.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 110.853 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -58.67 -26.86 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.239999999999995 110.901 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.5 m-85 -114.66 88.44 16.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 72.019999999999996 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.57 14.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 72.049999999999997 112.346 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.799 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.37 19.02 49.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 71.519999999999996 112.516 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.885 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.31 165.37 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 32.049999999999997 111.08 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.536 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.6 m -97.87 -35.03 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 111.159 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.885 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.1 158.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 60.119999999999997 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.092 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 165.58 148.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 61.539999999999999 110.908 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.56 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.38 131.78 53.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.898 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.84 166.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.100000000000001 111.106 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.795 ' O ' HD23 ' A' ' 70' ' ' LEU . 21.3 t0 -111.28 123.03 49.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.888 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 36' ' ' THR . 3.2 m -82.43 33.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.430000000000007 111.091 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -126.48 -17.01 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.450000000000003 110.878 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE2' ' HB2' ' A' ' 12' ' ' HIS . 12.3 pt-20 -116.03 -33.57 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.299999999999997 110.876 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.99 23.14 5.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.923 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.7 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 70.430000000000007 110.908 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -34.23 -30.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 61.119999999999997 110.891 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 71' ' ' LYS . 48.1 t -81.28 -46.66 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.25 111.102 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 79' ' ' VAL . . . -58.96 -27.51 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.064 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.9 -32.95 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 72.540000000000006 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.528 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -73.87 -31.06 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 23.0 m-85 -98.69 1.46 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.908 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 28.8 t30 65.14 72.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.340000000000003 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 1.111 HG21 ' CD2' ' A' ' 35' ' ' PHE . 2.3 t -120.23 117.28 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 64.409999999999997 111.127 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.501 ' H ' ' HE1' ' A' ' 82' ' ' MET . 2.0 mt-10 -94.28 57.87 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 70.209999999999994 110.857 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.029 ' HB1' ' HB2' ' A' ' 37' ' ' ALA . . . 54.09 100.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 70.219999999999999 111.093 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.501 ' HE1' ' H ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER 178.37 158.71 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 72.409999999999997 110.88 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.74 18.46 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.681 2.254 . . . . 75.319999999999993 112.369 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -43.33 120.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 70.209999999999994 111.158 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.68 40.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.857 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -30.62 141.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 62.020000000000003 110.917 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.631 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.9 m-85 -120.09 154.48 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.230000000000004 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.852 HG12 HD11 ' A' ' 33' ' ' ILE . 3.7 mm -139.06 79.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 52.409999999999997 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -81.77 122.65 27.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.879 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.5 t0 82.92 -12.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.310000000000002 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.74 47.39 1.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 64.209999999999994 112.485 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.87 -89.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 55.020000000000003 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -172.36 103.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 73.109999999999999 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.87 -32.76 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 33.149999999999999 111.115 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 157.11 179.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 71.400000000000006 110.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.502 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.77 173.85 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 74.25 110.901 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.7 t -144.0 -97.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.420000000000002 111.106 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.48 125.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 60.149999999999999 111.123 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.8 49.13 2.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 63.020000000000003 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -153.01 11.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 52.030000000000001 111.101 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -123.59 110.87 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.530000000000001 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.48 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -80.64 1.0 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 110.925 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 21.1 t70 -123.84 -7.1 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.409999999999997 110.844 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -107.32 -18.38 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 72.040000000000006 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.2 tp -78.88 -74.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.530000000000001 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.783 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.63 -17.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 62.530000000000001 110.903 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.24 -34.0 37.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.92 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.624 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.3 m -82.07 -37.22 26.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.209999999999994 111.137 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -64.42 -25.92 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.200000000000003 111.167 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.1 m -78.27 -29.92 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.010000000000005 111.152 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.56 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -79.7 -28.59 40.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.876 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.777 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.6 m170 -100.77 -47.84 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.230000000000004 110.848 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.6 t -94.22 -30.71 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.25 111.157 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.23 -11.16 85.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 73.530000000000001 112.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.15 37.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 53.119999999999997 111.102 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 m -158.75 -35.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 61.450000000000003 111.128 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.695 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 56.75 178.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.539999999999999 111.03 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.98 116.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.349999999999994 111.063 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.8 m -56.73 145.77 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.210000000000001 110.844 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.97 173.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 61.119999999999997 111.079 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.3 t -147.85 -55.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.109999999999999 110.869 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 72.329999999999998 111.131 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 75.299999999999997 110.869 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 32.06 -144.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 51.340000000000003 111.066 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 78.24 6.65 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 55.130000000000003 111.09 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -179.42 59.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 70.040000000000006 110.874 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.2 mm-40 -91.53 -147.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 61.130000000000003 110.847 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.49 21.1 7.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 71.439999999999998 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.942 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.5 m -104.62 -179.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 45.450000000000003 111.166 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.4 m -52.35 95.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 72.319999999999993 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' N ' ' A' ' 10' ' ' ALA . 42.7 mm -42.08 165.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.635 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.06 74.76 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.138 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -58.34 161.72 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 54.409999999999997 110.892 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -166.97 34.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.848 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER 178.92 27.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.219999999999999 110.928 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.686 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.3 -69.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.420000000000002 110.843 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.32 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 74.329999999999998 110.881 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -80.44 -42.77 22.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.892 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.56 -48.67 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 74.150000000000006 110.914 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -64.15 -43.92 93.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 64.430000000000007 110.87 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.14 -36.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 34.219999999999999 111.073 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' OE1' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.47 -53.15 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.150000000000006 110.93 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.468 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.29 -33.84 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.310000000000002 110.889 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -77.03 -27.5 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 65.430000000000007 111.106 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -80.04 24.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.85 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.683 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.22 -52.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.030000000000001 111.129 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -44.0 97.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 22' ' ' THR . 1.1 pt-20 -86.38 -40.1 15.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.420000000000002 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.09 -32.54 73.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.081 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.81 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 53.119999999999997 112.475 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.7 ptpt -138.51 155.85 48.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 70.420000000000002 110.915 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.852 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.8 OUTLIER -66.81 163.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 60.439999999999998 111.113 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.683 HG23 ' CB ' ' A' ' 24' ' ' ALA . 14.8 t -114.25 146.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.340000000000003 111.135 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.886 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -142.61 96.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.209999999999994 111.112 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.832 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.05 126.68 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 64.019999999999996 111.148 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -103.47 86.08 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 62.219999999999999 110.847 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD2' HG11 ' A' ' 79' ' ' VAL . 39.0 m-85 -58.44 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER 164.11 138.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 63.539999999999999 111.164 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.684 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . . . -120.74 -150.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 43.25 111.066 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ALA . 1.2 m 31.18 48.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 35.530000000000001 110.86 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 38' ' ' SER . 21.2 m-90 68.67 -41.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 73.540000000000006 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 175.02 169.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.875 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.99 -136.99 7.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 22.300000000000001 112.461 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 43' ' ' CYS . 54.0 Cg_endo -69.75 -52.72 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 65.219999999999999 112.368 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 42' ' ' PRO . 5.5 t 32.18 42.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.66 -48.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 110.867 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -81.13 -40.99 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.310000000000002 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -106.1 9.78 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 111.167 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.51 -55.65 40.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 74.049999999999997 111.142 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.67 4.44 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.749 2.3 . . . . 74.230000000000004 112.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 10.0 t -99.1 -49.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 52.130000000000003 111.142 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -62.67 -71.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.219999999999999 110.9 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.82 -49.38 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.87 -31.56 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 64.140000000000001 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.646 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-30 -70.7 -45.88 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.340000000000003 110.912 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.58 -43.74 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 75.129999999999995 111.074 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.942 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.8 mtpp -77.19 -41.67 40.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.88 -30.25 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.109999999999999 110.872 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.8 m-85 -111.78 88.05 9.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 74.310000000000002 110.87 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 61.439999999999998 112.301 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -100.6 21.02 45.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 22.050000000000001 112.486 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.8 162.86 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 54.25 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.519 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.2 m -92.34 -37.19 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 111.111 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.92 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 86.0 m-85 58.11 153.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.040000000000006 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.06 148.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.150000000000006 110.889 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.41 133.66 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.230000000000004 110.918 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HD21 ' A' ' 70' ' ' LEU . 91.0 t -116.21 161.71 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.030000000000001 111.125 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.738 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -118.1 112.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.549999999999997 110.867 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.863 HG21 ' HA ' ' A' ' 81' ' ' ALA . 2.0 m -80.57 34.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 71.030000000000001 111.16 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -130.51 -6.08 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.871 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 10.4 pt-20 -131.6 -34.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 71.109999999999999 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 65' ' ' VAL . 1.8 pt? -130.17 23.93 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 71.239999999999995 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.9 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 110.87 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.9 pt-20 -34.77 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 64.209999999999994 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 69.0 t -77.85 -47.76 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.230000000000004 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -62.47 -33.92 75.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.136 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -24.65 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.420000000000002 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -79.01 -30.91 44.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 65.099999999999994 110.906 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 21.9 m-85 -97.76 -17.83 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 54.210000000000001 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 9.1 t-20 74.35 71.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.120000000000005 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.704 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -105.54 -27.09 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.4 OUTLIER 86.9 -70.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 72.209999999999994 110.901 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.863 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 167.29 57.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 70.099999999999994 111.055 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.539 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -140.41 169.48 11.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 63.420000000000002 110.859 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.81 22.44 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 45.350000000000001 112.355 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -44.43 125.41 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 74.049999999999997 111.114 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -84.45 40.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 65.120000000000005 110.885 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.12 143.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.88 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 16.9 m-85 -120.66 159.1 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.881 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.832 HG12 HD11 ' A' ' 33' ' ' ILE . 4.6 mm -144.02 75.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 111.117 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -77.09 121.25 23.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.912 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.5 t70 84.05 -12.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.05 41.63 2.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 64.239999999999995 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.86 -88.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 65.120000000000005 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.85 105.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.319999999999993 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.82 -33.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.25 111.094 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.5 m-20 158.71 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.109999999999999 110.861 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.06 -178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.219999999999999 110.862 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.3 t -153.04 -96.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.430000000000007 111.126 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.807 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.65 131.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.140000000000001 111.127 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.8 43.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 33.020000000000003 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.562 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -148.62 11.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 42.310000000000002 111.097 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 2.0 mpt_? -124.75 114.63 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.239999999999995 110.862 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.89 3.92 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.120000000000005 110.902 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.437 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 23.1 t0 -123.14 -7.22 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.845 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 71.540000000000006 110.839 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.6 tp -79.47 -74.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.049999999999997 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.821 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.13 -18.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.140000000000001 110.912 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.654 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.7 t30 -79.79 -32.17 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 60.229999999999997 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.638 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.0 m -84.09 -38.28 20.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 63.119999999999997 111.124 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.588 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -63.62 -25.12 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.439999999999998 111.113 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.74 -29.77 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.540000000000006 111.152 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.606 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -80.57 -28.16 37.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.89 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.852 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.8 m170 -100.85 -47.8 4.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.848 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.3 t -94.79 -29.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -80.12 -9.4 86.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 74.140000000000001 112.481 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . 36.95 39.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 72.439999999999998 111.049 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.4 m -161.3 -35.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 42.100000000000001 111.155 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.717 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 57.6 161.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 51.5 111.092 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.31 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 71.010000000000005 111.12 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.5 89.89 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 60.299999999999997 110.848 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 121' ' ' SER . . . -65.21 142.58 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 75.129999999999995 111.126 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 77.25 -61.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.420000000000002 110.832 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.019999999999996 111.095 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.756 0.313 . . . . 73.140000000000001 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -89.39 -17.41 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 52.32 111.089 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.08 39.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 70.519999999999996 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' ALA . 3.1 tt0 60.45 92.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.349999999999994 110.875 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.4 mm-40 -91.11 -155.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.409999999999997 110.896 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.09 30.94 3.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 32.409999999999997 112.496 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -110.27 177.27 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 71.219999999999999 111.166 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.84 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.4 m -49.47 95.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 111.098 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 10' ' ' ALA . 24.0 mm -43.01 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 71.019999999999996 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.636 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.52 62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 73.150000000000006 111.113 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -52.73 162.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.140000000000001 110.903 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 17.2 p80 -169.62 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.540000000000006 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -178.83 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.430000000000007 110.91 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 65.69 -68.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.310000000000002 110.868 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -30.96 -37.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 72.319999999999993 110.876 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -83.66 -42.46 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.340000000000003 110.889 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.92 -44.95 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.439999999999998 110.876 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.95 -39.41 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 52.229999999999997 110.886 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -45.28 -21.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.43 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -105.58 -55.37 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.329999999999998 110.894 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.524 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.3 -24.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 62.530000000000001 110.905 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -90.56 -26.07 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 52.350000000000001 111.132 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 4.2 mttm -82.87 19.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 62.420000000000002 110.858 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -119.98 -47.23 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 111.091 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -48.8 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 72.540000000000006 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.97 -45.42 50.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.86 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -62.26 -28.25 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.239999999999995 111.106 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.22 13.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 71.340000000000003 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.57 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -125.36 166.61 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 62.100000000000001 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -79.55 159.38 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 71.129999999999995 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' HG13 ' A' ' 30' ' ' VAL . 37.5 t -112.51 148.01 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 75.329999999999998 111.132 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.11 95.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.310000000000002 111.137 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.856 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -96.07 123.8 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 65.510000000000005 111.09 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 85' ' ' PHE . 3.0 m-20 -100.44 95.26 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 65.409999999999997 110.838 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 67' ' ' VAL . 45.6 m-85 -68.15 -170.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 64.129999999999995 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 2.4 t 154.1 135.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 54.109999999999999 111.128 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.003 ' HB3' HG22 ' A' ' 67' ' ' VAL . . . 163.57 45.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 52.149999999999999 111.082 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -116.71 -26.59 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 61.43 110.872 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -179.58 29.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.898 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 68.69 92.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.439999999999998 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -42.95 167.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 64.310000000000002 112.54 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' CYS . 53.8 Cg_endo -69.73 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.265 . . . . 72.019999999999996 112.343 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.604 ' C ' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 36.52 34.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.200000000000003 110.886 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' PRO . 1.6 mtt180 -130.6 -52.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.430000000000007 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.41 -42.93 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -104.94 9.71 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 111.163 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.44 -55.37 43.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 70.549999999999997 111.111 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.82 4.48 2.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 31.23 112.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.2 t -99.31 -48.09 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 72.450000000000003 111.16 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.782 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.1 m-30 -64.49 -71.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.79 -49.33 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.349999999999994 111.12 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -62.51 -32.27 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 110.899 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -71.4 -44.86 64.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 110.915 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.28 -43.27 3.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 73.340000000000003 111.079 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.17 -40.68 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.109999999999999 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.1 mtmt -56.2 -28.34 57.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 61.340000000000003 110.901 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 12.6 m-85 -114.96 89.58 20.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 64.340000000000003 110.898 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.9 29.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 71.219999999999999 112.372 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.798 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -84.78 19.53 20.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 74.120000000000005 112.438 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.89 166.29 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 72.430000000000007 111.123 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' HD3' ' A' ' 29' ' ' LYS . 32.4 m -96.93 -38.47 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 63.32 111.096 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.904 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.9 m-85 59.23 146.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 73.040000000000006 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.856 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 174.33 146.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 65.230000000000004 110.909 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.51 134.22 55.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.140000000000001 110.903 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -135.22 162.45 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 74.239999999999995 111.117 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.3 t70 -107.08 127.92 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.519999999999996 110.888 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 37' ' ' ALA . 2.9 m -84.25 29.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.310000000000002 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.16 -20.42 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.854 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -111.84 -35.21 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.129999999999995 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -127.3 24.13 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 60.119999999999997 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.05 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.209999999999994 110.866 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.5 pt-20 -35.68 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 74.400000000000006 110.878 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' LYS . 74.4 t -82.26 -44.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 55.439999999999998 111.108 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -67.23 -31.6 72.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.349999999999994 111.087 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.78 -21.88 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 71.409999999999997 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.98 -32.03 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 62.310000000000002 110.852 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.8 m-85 -95.82 -20.57 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 64.420000000000002 110.911 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 76.14 72.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 61.329999999999998 110.886 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.692 HG11 ' CE2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -108.85 -29.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 111.128 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.5 mt-10 85.03 -71.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 63.100000000000001 110.923 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.89 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 171.25 63.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 111.146 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.534 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -141.25 167.2 17.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 53.119999999999997 110.837 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.8 21.54 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 54.149999999999999 112.361 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -48.18 128.55 14.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 43.149999999999999 111.122 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -88.43 41.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 61.200000000000003 110.878 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.29 137.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 73.109999999999999 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -116.17 152.99 32.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.772 HG12 HD11 ' A' ' 33' ' ' ILE . 4.1 mm -138.67 80.07 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 62.340000000000003 111.137 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.4 ttpt -80.53 122.07 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.230000000000004 110.894 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.7 t70 81.91 -7.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 71.140000000000001 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.33 42.97 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 30.399999999999999 112.496 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -144.73 -87.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 75.239999999999995 111.098 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -175.1 105.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 74.239999999999995 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.49 -34.02 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 111.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.0 m-20 157.09 179.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.510000000000005 110.805 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.61 -179.73 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 110.883 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.874 HG12 ' N ' ' A' ' 98' ' ' VAL . 13.1 t -151.94 -92.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.239999999999995 111.151 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.874 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.16 134.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 61.240000000000002 111.155 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -86.96 42.18 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 63.130000000000003 112.474 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.37 15.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 61.219999999999999 111.108 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 98' ' ' VAL . 5.1 mpt_? -123.48 114.06 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 73.129999999999995 110.884 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.53 12.18 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.239999999999995 110.864 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -5.62 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.150000000000006 110.873 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.73 -30.41 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.310000000000002 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 50' ' ' PHE . 15.3 tp -65.27 -76.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 70.109999999999999 110.907 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.725 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.08 -35.2 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.409999999999997 110.937 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 110' ' ' VAL . 5.7 t-20 -63.12 -33.72 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.120000000000005 110.838 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 112' ' ' HIS . 6.1 m -80.9 -47.0 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.210000000000001 111.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 105' ' ' LEU . 2.2 mp -53.71 -27.97 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.510000000000005 111.109 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 107' ' ' ASN . 29.1 m -78.32 -27.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 51.399999999999999 111.082 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.514 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -82.53 -27.6 31.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.239999999999995 110.928 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.677 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.2 m170 -102.46 -47.52 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 73.310000000000002 110.882 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.65 -30.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.040000000000006 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.72 -10.59 86.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 44.539999999999999 112.476 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 116' ' ' THR . . . 38.76 38.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 51.140000000000001 111.116 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 115' ' ' ALA . 8.7 p -158.93 -35.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 111.15 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.719 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 55.85 164.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 32.310000000000002 111.063 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.45 -57.59 7.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 45.219999999999999 111.095 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 11.6 t -158.76 -50.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.239999999999995 110.857 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 119' ' ' SER . . . 177.33 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.420000000000002 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.71 94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 32.229999999999997 110.864 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 72.239999999999995 111.076 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.752 0.31 . . . . 64.299999999999997 110.852 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -74.97 -17.01 60.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 111.09 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.88 40.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 51.340000000000003 111.116 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 59.04 91.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 61.030000000000001 110.844 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 3.3 mm-40 -90.47 -161.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 63.310000000000002 110.888 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.05 29.33 3.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 44.149999999999999 112.457 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.67 176.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 74.530000000000001 111.137 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.1 m -50.42 95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.150000000000006 111.097 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.707 ' HB ' HD12 ' A' ' 63' ' ' LEU . 25.5 mm -43.0 167.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 73.540000000000006 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.631 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -139.6 74.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 111.111 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.29 175.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 74.340000000000003 110.889 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.469 ' C ' ' OE2' ' A' ' 69' ' ' GLU . 18.6 t-80 -179.42 30.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER 177.14 26.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.239999999999995 110.878 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.93 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 110.861 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -31.47 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.239999999999995 110.879 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.06 -43.9 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 55.399999999999999 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -51.46 -43.81 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.549999999999997 110.896 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.487 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.3 m-20 -68.62 -34.44 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.129999999999995 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -46.37 -20.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 54.409999999999997 111.111 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' CD ' HG13 ' A' ' 9' ' ' ILE . 1.4 mp0 -104.68 -51.86 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.230000000000004 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.426 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.35 -21.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.349999999999994 110.817 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.63 -23.88 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 72.230000000000004 111.15 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.8 mttt -83.54 20.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.420000000000002 110.919 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.51 -44.27 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.549999999999997 111.089 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.27 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 61.119999999999997 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.91 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.150000000000006 110.867 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -63.72 -27.75 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 72.209999999999994 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.11 32.18 18.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 53.43 112.504 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.684 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -125.32 165.07 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 64.329999999999998 110.899 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -78.25 161.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 72.019999999999996 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.582 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 44.1 t -113.54 148.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.340000000000003 111.11 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.871 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.23 95.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.040000000000006 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.079 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -95.73 129.57 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.114 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -105.44 92.19 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 61.420000000000002 110.889 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.702 ' CE2' HG11 ' A' ' 79' ' ' VAL . 29.4 m-85 -62.87 -164.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.869 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.85 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER 164.05 137.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 73.519999999999996 111.132 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.103 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . . . -131.4 -178.39 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 52.420000000000002 111.127 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 0.3 OUTLIER 38.75 78.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 43.329999999999998 110.888 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 38' ' ' SER . 4.2 p90 38.57 21.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 72.120000000000005 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.9 t 72.48 -178.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 70.209999999999994 110.841 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.13 -108.84 3.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 51.200000000000003 112.471 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' CYS . 53.6 Cg_endo -69.8 -53.21 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.679 2.253 . . . . 75.430000000000007 112.33 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER 35.11 40.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 61.130000000000003 110.869 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -154.24 -51.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.019999999999996 110.838 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.83 -48.24 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.340000000000003 110.853 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.758 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -102.09 10.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 111.089 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.36 -54.2 57.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 72.219999999999999 111.102 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.72 3.73 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 52.219999999999999 112.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -98.81 -48.46 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 43.409999999999997 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -63.38 -70.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.099999999999994 110.906 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.864 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.51 -48.99 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.209999999999994 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.1 pt-20 -63.43 -30.52 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 74.510000000000005 110.883 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.0 m-30 -72.25 -45.57 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 71.049999999999997 110.955 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.36 -42.51 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 62.219999999999999 111.107 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.907 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.4 mtpp -77.66 -41.07 39.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.019999999999996 110.907 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -53.77 -32.09 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.409999999999997 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.9 m-85 -111.51 89.72 11.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 71.299999999999997 110.88 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.07 13.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.635 2.223 . . . . 71.030000000000001 112.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.814 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -93.2 21.67 38.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 72.420000000000002 112.469 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.918 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.61 165.73 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.120000000000005 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.684 HG12 ' HD3' ' A' ' 29' ' ' LYS . 13.1 m -97.61 -35.05 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.119999999999997 111.138 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.918 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.7 m-85 56.99 158.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.079 HD23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 169.48 150.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.210000000000001 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.76 122.66 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 75.340000000000003 110.898 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.738 HG13 HD21 ' A' ' 70' ' ' LEU . 85.5 t -107.37 161.4 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 65.319999999999993 111.104 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.868 ' O ' HD23 ' A' ' 70' ' ' LEU . 8.9 t0 -121.92 102.96 8.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 55.240000000000002 110.865 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.902 HG21 ' HA ' ' A' ' 81' ' ' ALA . 3.4 m -74.72 43.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.340000000000003 111.094 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.56 -20.01 2.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 110.858 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.66 -29.69 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.87 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.37 21.65 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.439999999999998 110.908 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.78 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.540000000000006 110.903 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.2 pt-20 -34.46 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 75.120000000000005 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 71' ' ' LYS . 53.9 t -76.2 -48.7 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 51.539999999999999 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.618 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -60.52 -32.07 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.107 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.15 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 70.200000000000003 110.887 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -74.56 -34.95 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.010000000000005 110.883 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.692 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.6 m-85 -94.51 -12.69 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.040000000000006 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 56.5 t30 67.9 74.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 74.129999999999995 110.858 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.702 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.2 m -115.64 -27.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 61.310000000000002 111.166 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.8 mt-10 75.68 -64.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.299999999999997 110.896 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.103 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . 170.87 103.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 32.409999999999997 111.109 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.562 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 178.61 161.2 0.67 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.701 . . . . 75.310000000000002 110.874 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.73 20.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 71.409999999999997 112.363 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.562 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -47.33 126.69 9.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.010000000000005 111.186 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.643 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -85.63 41.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.219999999999999 110.901 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.695 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -31.48 144.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.881 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.0 m-85 -121.42 157.07 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 72.310000000000002 110.908 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 33' ' ' ILE . 4.5 mm -142.54 77.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.450000000000003 111.156 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 4.5 ttpt -79.98 121.84 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t70 83.46 -12.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.230000000000004 110.869 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.75 45.02 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 42.030000000000001 112.472 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.3 -89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.321 . . . . 73.439999999999998 111.076 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -174.3 104.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.150000000000006 110.931 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.89 -34.07 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 63.399999999999999 111.068 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 157.52 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.150000000000006 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -132.79 174.03 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 60.549999999999997 110.936 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 98' ' ' VAL . 37.2 t -143.03 -94.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 74.319999999999993 111.161 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 161.21 131.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 73.109999999999999 111.104 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -81.75 43.78 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 61.240000000000002 112.453 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.584 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -151.62 14.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 74.439999999999998 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -126.3 116.22 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.299999999999997 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -87.12 6.37 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 64.030000000000001 110.907 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.447 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -126.3 -7.48 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 75.310000000000002 110.852 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.99 -17.53 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 52.450000000000003 110.901 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 50' ' ' PHE . 21.7 tp -81.09 -74.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.94 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.47 -18.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.906 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.6 -33.61 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.626 HG23 ' CE1' ' A' ' 112' ' ' HIS . 3.7 m -81.17 -39.54 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.409999999999997 111.102 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -62.03 -26.6 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.219999999999999 111.158 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.26 -30.65 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 70.409999999999997 111.132 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -79.01 -28.89 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 75.540000000000006 110.917 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.742 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.8 m170 -100.5 -48.37 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 74.219999999999999 110.827 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.814 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.33 -30.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.02 -9.18 87.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 72.319999999999993 112.514 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.67 37.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 74.310000000000002 111.134 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.569 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 85.0 m -162.6 -44.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 71.420000000000002 111.15 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.668 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 75.66 -47.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 30.300000000000001 111.075 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 117' ' ' ALA . . . 80.24 -54.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.1 p -124.93 95.68 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 110.884 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -99.97 108.81 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 44.32 111.098 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.58 94.39 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 62.340000000000003 110.876 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 52.350000000000001 111.079 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.817 0.342 . . . . 51.119999999999997 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 53.08 -100.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 71.239999999999995 111.15 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 75.57 58.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 75.310000000000002 111.122 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 57.85 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 -147.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.140000000000001 110.871 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -83.89 29.36 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 73.430000000000007 112.497 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.929 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -111.27 179.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 71.450000000000003 111.105 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.7 m -51.63 95.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 72.519999999999996 111.143 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.628 HG22 ' N ' ' A' ' 10' ' ' ALA . 18.9 mm -42.77 168.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 55.020000000000003 111.123 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.03 56.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 111.132 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -43.43 160.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 52.329999999999998 110.874 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -168.36 38.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.859 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 176.85 28.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.671 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.48 -69.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.439999999999998 110.88 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.45 -38.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.329999999999998 110.892 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.3 mt-10 -80.89 -41.34 23.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.74 ' HA ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.69 -45.12 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 64.030000000000001 110.883 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -68.11 -28.97 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.310000000000002 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.433 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -59.98 -7.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 111.137 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -117.67 -37.66 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.571 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.7 -16.84 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.329999999999998 110.854 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.87 -31.54 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 43.210000000000001 111.197 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -80.85 26.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.319999999999993 110.878 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -127.3 -42.37 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 61.119999999999997 111.107 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -69.94 -43.37 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.099999999999994 110.915 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.88 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.09 -29.14 69.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 33.409999999999997 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.36 30.71 13.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 53.439999999999998 112.425 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -121.7 163.86 18.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 72.310000000000002 110.907 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -77.23 160.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 65.120000000000005 111.133 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' A' ' 24' ' ' ALA . 9.9 t -114.16 147.75 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.230000000000004 111.115 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.888 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.9 mp -142.48 96.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 71.230000000000004 111.072 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.066 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -95.73 128.31 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 55.049999999999997 111.106 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.7 t70 -101.41 86.75 3.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 74.010000000000005 110.851 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.639 ' CD2' HG11 ' A' ' 79' ' ' VAL . 30.8 m-85 -61.0 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.340000000000003 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER 166.23 134.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 111.131 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.643 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . . . -100.57 174.37 6.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 52.520000000000003 111.123 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -36.82 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.099999999999994 110.856 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -38.33 -39.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 61.049999999999997 110.973 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 41' ' ' GLY . 44.1 t 62.11 161.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.209999999999994 110.914 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 40' ' ' CYS . . . -88.04 -154.64 27.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 71.510000000000005 112.437 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -47.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 72.219999999999999 112.335 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 46.21 45.32 12.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 62.450000000000003 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -156.69 -56.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 71.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.1 -42.51 93.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 52.119999999999997 110.902 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.52 11.05 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 53.420000000000002 111.087 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.08 -54.43 54.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 62.32 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 71.230000000000004 112.342 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -100.1 -48.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 111.12 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.5 m-30 -63.85 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.866 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.29 -48.67 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.549999999999997 111.123 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -62.76 -32.27 73.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.617 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.903 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.794 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.71 -42.45 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 61.350000000000001 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.929 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.6 mtpp -78.68 -42.71 27.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.439999999999998 110.873 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 12.2 mtmt -54.8 -25.98 31.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 61.329999999999998 110.913 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 109' ' ' ILE . 17.4 m-85 -115.45 89.36 21.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 72.409999999999997 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 64.150000000000006 112.355 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.806 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.37 23.29 32.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 51.210000000000001 112.487 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.87 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 71.349999999999994 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 33.3 m -94.67 -35.86 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 111.159 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.951 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.25 160.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 71.010000000000005 110.866 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.066 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.88 147.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 63.310000000000002 110.914 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.08 132.9 54.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.209999999999994 110.926 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.129999999999995 111.141 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.794 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.0 t0 -110.57 121.7 45.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.879 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 36' ' ' THR . 16.4 m -82.96 33.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.200000000000003 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.92 -19.88 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.329999999999998 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.607 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 9.0 pt-20 -115.5 -33.05 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 61.450000000000003 110.885 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.14 23.49 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 64.519999999999996 110.948 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.09 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.919 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.4 pt-20 -34.05 -31.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 63.210000000000001 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.5 t -76.49 -47.41 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 62.340000000000003 111.09 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.698 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 45.439999999999998 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.66 -18.44 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.917 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -86.16 -31.56 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 63.210000000000001 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.5 m-85 -96.69 -15.91 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 110.918 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.62 74.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.891 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.639 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -102.34 -33.69 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 70.5 111.147 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.3 mt-10 87.89 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 110.914 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . 172.73 90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.349999999999994 111.104 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 176.86 164.58 0.48 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.576 0.703 . . . . 70.319999999999993 110.849 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.8 40.94 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 74.109999999999999 112.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -62.93 116.89 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 62.340000000000003 111.143 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.26 60.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.209999999999994 110.862 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.845 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -48.31 143.18 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 61.100000000000001 110.927 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 40.0 m-85 -120.6 141.69 50.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 51.149999999999999 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 33' ' ' ILE . 11.9 mm -128.5 77.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.019999999999996 111.09 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 10.5 ttmt -78.67 122.49 26.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.349999999999994 110.848 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.3 t0 83.41 -15.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.420000000000002 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 44.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 62.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.419 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.81 -86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 41.030000000000001 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -175.48 106.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 75.409999999999997 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.666 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -88.51 -32.0 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 111.132 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.3 m-20 157.73 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 53.340000000000003 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.845 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -128.35 -171.3 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.310000000000002 110.896 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -161.96 -96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.030000000000001 111.11 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.77 143.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 54.530000000000001 111.141 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.39 49.06 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 73.310000000000002 112.513 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.55 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.73 16.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 61.229999999999997 111.095 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 100' ' ' ALA . 6.4 mpt_? -131.0 113.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.329999999999998 110.874 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.27 8.12 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 71.540000000000006 110.88 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.451 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 11.7 p-10 -124.8 -10.18 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.299999999999997 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.33 -20.63 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.450000000000003 110.866 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 50' ' ' PHE . 30.4 tp -78.82 -76.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.823 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.75 -20.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 63.210000000000001 110.934 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 t30 -79.88 -34.08 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 70.430000000000007 110.834 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.609 HG23 ' CE1' ' A' ' 112' ' ' HIS . 8.8 m -80.78 -40.53 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 51.509999999999998 111.099 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -62.8 -26.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 55.43 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.8 m -78.77 -30.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.200000000000003 111.157 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -79.63 -28.27 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 65.340000000000003 110.928 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.87 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.7 m170 -101.01 -47.45 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 71.109999999999999 110.815 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.9 t -94.73 -29.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 70.340000000000003 111.147 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.9 -11.38 84.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 74.030000000000001 112.487 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.59 40.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 71.239999999999995 111.071 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.6 m -162.12 -34.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.349999999999994 111.16 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.705 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 54.44 -180.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 62.329999999999998 111.098 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -113.59 -47.73 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.209999999999994 111.071 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.8 p -162.83 44.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.219999999999999 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.56 34.4 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.310000000000002 111.094 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.6 m -83.32 93.94 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.340000000000003 110.925 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 71.109999999999999 111.116 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 60.340000000000003 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 34.7 -102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 44.310000000000002 111.11 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 76.83 79.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 111.102 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 42.88 90.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 61.210000000000001 110.911 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' ALA . 2.3 mm-40 -96.2 -151.12 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 74.420000000000002 110.889 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.75 25.56 5.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 50.43 112.483 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -104.08 176.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 62.439999999999998 111.155 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 35.6 m -49.95 94.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 30.23 111.13 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.634 HG22 ' N ' ' A' ' 10' ' ' ALA . 14.2 mm -44.52 170.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 111.135 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -142.27 81.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 54.240000000000002 111.114 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -54.84 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.92 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' NE2' ' CG ' ' A' ' 64' ' ' LYS . 10.6 m170 67.56 16.51 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 74.329999999999998 110.897 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ASP . 11.5 t-20 -152.39 10.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 62.66 -72.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 71.430000000000007 110.883 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -33.07 -34.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 63.450000000000003 110.899 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -89.13 -39.81 13.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.519999999999996 110.876 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -53.21 -32.43 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.200000000000003 110.884 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -70.83 -34.22 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.87 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -56.26 -29.13 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.400000000000006 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -94.97 -52.7 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 55.039999999999999 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HA ' ' HE2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -49.03 -24.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.109999999999999 110.86 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -94.9 -19.27 20.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 111.198 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -83.56 23.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.918 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.619 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.93 -47.0 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 63.530000000000001 111.046 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -41.39 96.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 110.896 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.17 -42.38 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 75.400000000000006 110.885 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 71.319999999999993 111.077 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 36.38 7.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 42.009999999999998 112.5 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -135.53 160.6 37.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 61.450000000000003 110.916 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -71.65 160.52 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.349999999999994 111.105 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 24' ' ' ALA . 36.3 t -111.5 143.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.230000000000004 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.863 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mp -141.54 98.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 55.210000000000001 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.74 126.78 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.109999999999999 111.105 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.8 t70 -99.01 91.89 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.319999999999993 110.857 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.751 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 32.4 m-85 -64.93 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.865 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.995 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 162.97 141.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 63.549999999999997 111.151 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -77.84 -169.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.109999999999999 111.046 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB3' ' CE3' ' A' ' 39' ' ' TRP . 8.0 t -64.44 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 73.120000000000005 110.827 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' CYS . 6.7 m-90 -118.5 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.896 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -34.75 123.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.519999999999996 110.908 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.79 101.95 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 62.409999999999997 112.489 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.69 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.726 2.284 . . . . 64.450000000000003 112.301 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.477 ' C ' ' HB2' ' A' ' 47' ' ' ALA . 79.7 m 40.07 36.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.88 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -135.42 -56.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 73.299999999999997 110.878 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -71.56 -42.63 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.891 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -104.91 10.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.239999999999995 111.12 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.27 -54.21 55.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 75.219999999999999 111.105 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.79 4.66 2.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.676 2.251 . . . . 75.120000000000005 112.376 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.6 t -100.25 -47.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 111.117 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.0 m-30 -63.27 -71.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.32 -48.73 18.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 111.09 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -62.77 -32.55 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 72.340000000000003 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -71.37 -44.67 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.34 -42.69 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.239999999999995 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.82 -40.83 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.530000000000001 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.0 mtmt -53.74 -30.16 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 45.520000000000003 110.927 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.3 m-85 -113.24 88.66 12.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 72.329999999999998 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -1.61 8.72 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.728 2.285 . . . . 60.509999999999998 112.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.78 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.3 19.99 50.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 74.239999999999995 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.905 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.95 165.07 32.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.230000000000004 111.091 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.4 m -93.84 -36.83 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 43.219999999999999 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.905 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.4 m-85 58.28 151.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 64.530000000000001 110.86 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 170.24 148.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.040000000000006 110.935 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.26 132.29 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.91 179.817 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.821 ' CG2' HD21 ' A' ' 70' ' ' LEU . 8.6 p -118.62 163.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.310000000000002 111.102 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.1 t0 -120.6 115.19 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.420000000000002 110.864 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 36' ' ' THR . 2.5 m -80.48 34.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.12 -11.12 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 64.099999999999994 110.852 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' CD ' ' HB3' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -128.09 -38.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 61.420000000000002 110.857 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.821 HD21 ' CG2' ' A' ' 65' ' ' VAL . 1.7 pt? -124.66 22.42 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.77 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 64.5 110.925 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.7 pt-20 -35.82 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.888 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 71' ' ' LYS . 73.0 t -80.16 -45.34 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.166 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.751 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.61 -32.18 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 61.439999999999998 111.085 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.27 -23.78 67.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.430000000000007 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -81.42 -32.19 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.310000000000002 110.909 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.8 m-85 -96.39 -17.06 20.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.450000000000003 110.928 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 73.26 74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 41.299999999999997 110.872 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.747 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.48 1.88 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 75.450000000000003 111.125 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.8 pt-20 37.03 28.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 62.409999999999997 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.857 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 68.57 104.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 71.420000000000002 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.57 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 176.52 163.12 0.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 75.340000000000003 110.932 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.2 Cg_endo -69.79 22.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 72.540000000000006 112.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -53.25 121.37 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 72.209999999999994 111.135 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.637 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -79.66 42.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.921 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.64 141.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 70.230000000000004 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.6 m-85 -118.85 153.07 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.230000000000004 110.875 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.791 HG12 HD11 ' A' ' 33' ' ' ILE . 5.1 mm -138.62 75.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 63.039999999999999 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttmt -78.04 122.76 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.349999999999994 110.914 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.22 -9.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 64.140000000000001 110.888 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.9 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 40.439999999999998 112.512 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.97 -87.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 75.120000000000005 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -176.53 105.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.653 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.17 -32.84 17.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.25 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.8 m-20 158.4 179.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 110.896 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.24 177.95 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.200000000000003 110.916 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 98' ' ' VAL . 44.0 t -147.33 -97.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 111.139 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.805 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.89 134.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 60.130000000000003 111.109 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.22 42.2 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.775 . . . . 74.439999999999998 112.458 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.9 12.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.734 0.302 . . . . 73.019999999999996 111.053 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.609 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -123.07 116.44 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 70.209999999999994 110.875 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.509 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.23 11.88 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.299999999999997 110.935 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.23 -3.84 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.039999999999999 110.872 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -112.22 -33.52 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.877 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.637 HD13 ' CE2' ' A' ' 85' ' ' PHE . 6.2 tp -62.29 -72.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.530000000000001 110.899 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.845 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.1 -33.93 20.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 t30 -64.7 -27.41 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 87' ' ' PHE . 3.8 m -86.7 -47.01 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.400000000000006 111.162 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.0 mp -55.53 -28.1 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 70.319999999999993 111.128 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 106' ' ' GLN . 15.8 m -78.46 -27.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.099999999999994 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.651 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.78 -27.7 30.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.923 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.654 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.1 m170 -101.46 -46.8 4.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.239999999999995 110.839 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -95.29 -30.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.119999999999997 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.24 -10.89 76.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 30.350000000000001 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 116' ' ' THR . . . 51.96 104.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 51.130000000000003 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.2 m 85.98 62.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.136 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 111' ' ' LYS . . . -30.73 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 65.129999999999995 111.092 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.19 -60.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 62.240000000000002 111.1 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -175.26 152.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 53.299999999999997 110.865 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.19 142.27 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 62.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.81 77.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.430000000000007 110.911 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 73.099999999999994 111.104 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.737 0.303 . . . . 75.219999999999999 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -105.52 -19.27 13.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 70.340000000000003 111.108 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.27 39.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.439999999999998 111.082 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.644 ' HG3' HD12 ' A' ' 9' ' ' ILE . 12.5 tt0 59.61 90.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 53.32 110.873 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.9 mm-40 -90.22 -157.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 110.841 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.09 28.87 4.01 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 51.509999999999998 112.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.932 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -107.73 175.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 64.430000000000007 111.115 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 51' ' ' ALA . 25.5 m -51.76 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 64.540000000000006 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.644 HD12 ' HG3' ' A' ' 4' ' ' GLU . 20.3 mm -45.01 168.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 61.140000000000001 111.098 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.24 74.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 42.140000000000001 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 14.6 p -68.86 165.74 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 44.149999999999999 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 80.1 m80 -163.61 35.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.109999999999999 110.843 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' CD ' ' A' ' 16' ' ' GLU . 2.8 p-10 -171.14 20.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.450000000000003 110.895 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 65.17 -68.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.219999999999999 110.894 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -29.63 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 71.150000000000006 110.901 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.22 -43.51 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.129999999999995 110.848 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -49.43 -37.46 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 64.510000000000005 110.911 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.8 m-20 -66.41 -37.2 84.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 62.119999999999997 110.868 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.64 -21.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 64.530000000000001 111.111 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 -52.59 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 64.230000000000004 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.12 -18.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 61.049999999999997 110.878 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.49 -21.97 15.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 111.16 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -84.39 27.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 110.893 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.635 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -126.59 -46.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 111.071 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -40.19 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 52.439999999999998 110.844 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -87.98 -40.96 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.140000000000001 110.916 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 70.510000000000005 111.112 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.41 36.94 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 70.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.5 ptpt -136.79 155.55 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 75.209999999999994 110.884 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -67.6 163.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.329999999999998 111.108 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' CB ' ' A' ' 24' ' ' ALA . 25.2 t -114.84 144.36 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 72.310000000000002 111.127 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.854 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.0 96.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.096 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.831 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -95.31 131.24 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.409999999999997 111.113 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -107.2 92.8 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.856 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.786 ' CE2' HG21 ' A' ' 79' ' ' VAL . 45.7 m-85 -62.59 -164.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 63.119999999999997 110.832 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.602 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER 158.73 126.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 62.020000000000003 111.192 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -67.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.32 111.072 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.46 ' HB3' ' CE3' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -177.82 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 61.219999999999999 110.869 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.46 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 1.2 m-90 -110.68 -43.79 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 71.5 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.17 92.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 74.540000000000006 110.898 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.43 140.53 2.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.755 -0.736 . . . . 72.430000000000007 112.477 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 54.329999999999998 112.334 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 40.94 42.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 64.200000000000003 110.847 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -163.21 -57.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 110.862 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -67.5 -42.3 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.2 tt -104.11 10.6 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.35 -54.65 52.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 53.229999999999997 111.092 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.82 4.31 2.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 74.400000000000006 112.38 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.4 t -98.83 -47.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.230000000000004 111.094 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.3 m-30 -65.06 -71.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.400000000000006 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.857 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.85 -47.53 11.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 111.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.7 pt-20 -63.9 -33.64 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 62.399999999999999 110.855 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.714 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.8 m-30 -68.44 -47.91 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.959 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.814 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.27 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 65.420000000000002 111.096 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.1 mtpp -76.36 -40.43 51.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.932 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -58.82 -24.96 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 72.329999999999998 110.944 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.4 m-85 -116.72 87.61 22.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 72.010000000000005 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -6.24 18.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 72.400000000000006 112.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.783 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -89.57 19.47 40.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 60.109999999999999 112.536 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.87 168.45 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 43.140000000000001 111.111 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.3 m -101.13 -33.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.329999999999998 111.11 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.6 m-85 56.15 160.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.209999999999994 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.79 147.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.530000000000001 110.921 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -121.15 134.71 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 62.020000000000003 110.863 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -125.9 165.18 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 62.100000000000001 111.15 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.82 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.0 t0 -110.64 119.86 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.3 m -83.02 33.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 111.102 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.45 -20.21 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 110.902 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 12' ' ' HIS . 14.0 pt-20 -115.45 -36.24 4.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 71.329999999999998 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -125.3 24.46 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.0 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 60.020000000000003 110.895 179.821 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.8 pt-20 -35.74 -28.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.109999999999999 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' LYS . 92.0 t -80.44 -45.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 61.32 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -62.49 -24.83 67.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 31.41 111.086 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.6 59.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.109999999999999 110.892 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -63.47 -35.79 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -95.85 -7.91 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.927 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 40.3 t30 66.06 72.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.409999999999997 110.882 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG21 ' CE2' ' A' ' 35' ' ' PHE . 87.1 t -89.41 -97.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 70.540000000000006 111.131 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.3 OUTLIER 156.2 -66.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.897 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 164.45 41.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 61.299999999999997 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.528 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -138.13 170.18 11.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 75.239999999999995 110.867 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.83 21.75 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 64.340000000000003 112.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.35 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 55.350000000000001 111.133 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -82.08 39.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.030000000000001 110.869 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.646 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.68 142.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 73.129999999999995 110.911 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 23.4 m-85 -120.81 149.18 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.774 HG12 HD11 ' A' ' 33' ' ' ILE . 7.3 mm -133.85 75.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 72.150000000000006 111.099 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.57 122.94 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.881 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.0 t0 81.9 -11.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.12 41.24 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 54.420000000000002 112.509 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.01 -85.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.308 . . . . 61.409999999999997 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -177.8 108.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 64.329999999999998 110.899 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.866 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -91.29 -31.03 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 45.219999999999999 111.073 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.14 179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 71.010000000000005 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.705 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -136.78 174.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 110.896 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 98' ' ' VAL . 56.1 t -149.76 -100.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 111.139 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 166.02 134.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 54.039999999999999 111.115 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.56 45.29 1.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 60.439999999999998 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.523 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -147.61 0.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 71.409999999999997 111.102 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.45 HH21 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -101.83 104.4 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 110.893 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.518 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -81.98 2.15 32.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.219999999999999 110.878 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.47 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 2.9 p30 -129.54 -10.02 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 110.858 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -104.33 -25.0 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.310000000000002 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.728 HD22 ' CE1' ' A' ' 50' ' ' PHE . 34.0 tp -70.46 -74.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.936 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.704 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.61 -20.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.150000000000006 110.921 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.3 OUTLIER -80.88 -33.29 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.219999999999999 110.898 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.626 HG23 ' CE1' ' A' ' 112' ' ' HIS . 2.8 m -80.45 -36.42 33.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 62.149999999999999 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -65.99 -26.35 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.010000000000005 111.188 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.765 HG23 ' HA ' ' A' ' 117' ' ' ALA . 26.9 m -77.61 -31.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 64.340000000000003 111.103 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.48 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -78.36 -28.22 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.439999999999998 110.866 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' VAL . 18.8 m170 -100.78 -47.95 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 59' ' ' GLY . 5.0 t -94.46 -31.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 64.530000000000001 111.103 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -77.09 -22.54 70.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 72.129999999999995 112.471 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 53.73 14.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 63.219999999999999 111.084 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -133.01 -31.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.140000000000001 111.148 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.765 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 53.28 172.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 71.409999999999997 111.126 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.25 -56.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.030000000000001 111.086 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.5 99.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 53.109999999999999 110.88 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.04 115.93 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 74.310000000000002 111.099 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -74.05 83.72 1.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 72.540000000000006 110.866 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 34.32 111.087 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 2.3 ttm . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.81 0.338 . . . . 63.329999999999998 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.435 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -136.03 0.52 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 52.200000000000003 111.114 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.3 -19.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 111.123 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 2' ' ' ALA . 21.0 tt0 -176.42 87.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.439999999999998 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 2.1 mm-40 -93.41 -153.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.25 110.847 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.3 22.82 7.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 72.030000000000001 112.472 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.973 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -101.83 -178.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 72.540000000000006 111.123 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.83 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 32.0 m -51.43 94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 52.200000000000003 111.095 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 39.8 mm -42.23 166.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.400000000000006 111.093 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.633 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.1 57.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 54.520000000000003 111.14 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 162.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 110.945 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -170.11 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 65.329999999999998 110.844 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER 179.76 27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.120000000000005 110.911 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.84 -69.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.119999999999997 110.919 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -30.79 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.409999999999997 110.877 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.2 mt-10 -81.98 -42.5 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.430000000000007 110.889 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.29 -41.9 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.510000000000005 110.853 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.22 -43.17 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 110.914 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.15 -25.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.200000000000003 111.1 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -104.95 -51.52 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.319999999999993 110.917 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.32 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.400000000000006 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.6 -23.85 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 62.210000000000001 111.175 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -83.74 25.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.340000000000003 110.898 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -128.61 -41.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 63.350000000000001 111.102 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.58 -46.15 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 74.349999999999994 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.84 -46.35 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 110.858 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.1 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 63.119999999999997 111.095 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 36.04 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 74.150000000000006 112.514 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.627 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.13 158.99 31.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 72.140000000000001 110.879 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.9 OUTLIER -70.7 162.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.140000000000001 111.137 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 ' N ' HG13 ' A' ' 30' ' ' VAL . 68.2 t -119.35 149.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.540000000000006 111.103 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.859 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.1 97.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 111.144 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.3 128.4 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 111.105 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -99.67 86.61 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.329999999999998 110.867 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 24.2 m-85 -60.21 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.129999999999995 110.896 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.996 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER 168.32 135.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.019999999999996 111.173 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -72.58 -78.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.400000000000006 111.071 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -169.21 -37.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.859 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -111.6 -31.63 6.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 75.319999999999993 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.13 113.99 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 73.430000000000007 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.63 113.4 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.692 -0.766 . . . . 71.230000000000004 112.447 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -50.69 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.638 2.226 . . . . 64.239999999999995 112.361 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m 42.79 43.22 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 73.209999999999994 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -152.09 -52.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.439999999999998 110.908 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -78.56 -41.25 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.349999999999994 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.91 9.95 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 75.450000000000003 111.118 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.675 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.35 -55.17 45.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 74.420000000000002 111.123 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.76 5.19 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 75.409999999999997 112.388 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.0 t -100.08 -47.94 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 54.399999999999999 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.22 -71.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 72.430000000000007 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.39 -49.24 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 62.149999999999999 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -61.54 -33.91 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.909 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.657 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.1 m-30 -69.17 -45.04 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 65.209999999999994 110.903 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.15 -43.13 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 111.053 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.973 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -80.04 -43.49 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 70.019999999999996 110.904 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -53.53 -29.52 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.049999999999997 110.912 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.537 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.2 m-85 -111.76 89.2 10.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 74.109999999999999 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.88 17.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 73.340000000000003 112.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.767 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.81 17.89 52.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 62.020000000000003 112.48 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.89 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.36 167.78 22.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 54.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.627 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.9 m -101.29 -34.09 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.540000000000006 111.115 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.89 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.8 m-85 55.88 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.530000000000001 110.888 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.788 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 164.36 150.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 72.140000000000001 110.887 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.09 128.26 47.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.839 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -126.07 167.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.409999999999997 111.141 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.774 ' O ' HD23 ' A' ' 70' ' ' LEU . 30.2 t0 -113.0 123.55 50.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.439999999999998 110.855 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.996 HG22 ' O ' ' A' ' 36' ' ' THR . 10.3 m -82.03 32.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.239999999999995 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -124.34 -20.18 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.439999999999998 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.94 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.539999999999999 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.7 pt? -130.03 24.43 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -33.46 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 73.030000000000001 110.889 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.8 pt-20 -38.03 -26.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 71.450000000000003 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' LYS . 59.5 t -82.63 -42.23 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.519999999999996 111.102 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -71.36 -24.07 62.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.200000000000003 111.158 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.85 -20.05 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 71.049999999999997 110.886 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -86.23 -31.59 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.540000000000006 110.909 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -94.12 -15.78 24.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.340000000000003 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 69.36 71.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 61.240000000000002 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -100.39 -32.08 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 61.420000000000002 111.156 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.575 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 87.29 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.349999999999994 110.958 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 169.74 92.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.510000000000005 111.103 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.505 ' HE1' ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 176.88 165.51 0.47 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.564 0.697 . . . . 53.549999999999997 110.875 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.81 38.5 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.73 2.286 . . . . 52.43 112.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -61.97 120.25 10.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.409999999999997 111.176 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -79.49 53.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 65.129999999999995 110.856 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.91 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.98 139.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.350000000000001 110.925 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.649 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 35.1 m-85 -116.94 146.18 43.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 65.230000000000004 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.725 HG12 HD11 ' A' ' 33' ' ' ILE . 7.5 mm -131.32 75.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 71.219999999999999 111.117 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 12.2 ttmt -77.32 122.73 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 65.420000000000002 110.923 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t0 81.84 -9.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.87 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.97 43.39 2.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 52.420000000000002 112.483 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 88' ' ' ILE . . . -147.14 -86.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 70.129999999999995 111.093 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -175.41 108.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.140000000000001 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -92.83 -31.89 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 111.093 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.3 m-20 157.04 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 110.887 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.91 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -125.81 -172.2 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 71.099999999999994 110.888 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.802 HG12 ' N ' ' A' ' 98' ' ' VAL . 38.4 t -160.12 -95.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 111.144 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.802 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.22 141.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.549999999999997 111.091 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.67 45.02 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 64.549999999999997 112.453 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.643 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.24 11.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 33.399999999999999 111.112 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 5.7 mpt_? -128.31 114.44 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 54.5 110.887 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.31 7.81 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.909 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 7.4 t70 -121.85 -9.02 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.010000000000005 110.919 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.448 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -107.78 -23.19 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 73.310000000000002 110.845 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.597 HD22 ' CE1' ' A' ' 50' ' ' PHE . 36.1 tp -74.7 -77.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 61.530000000000001 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.844 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.75 -20.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 110.941 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.704 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.6 t30 -78.64 -35.57 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.904 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.623 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -80.11 -42.01 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 71.129999999999995 111.164 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -60.96 -26.73 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.549999999999997 111.136 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.92 -29.53 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.310000000000002 111.092 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.5 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.86 -28.76 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.219999999999999 110.882 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.803 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.5 m170 -100.34 -46.75 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.140000000000001 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -95.29 -31.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 73.319999999999993 111.119 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.51 -15.12 81.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 63.049999999999997 112.48 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 116' ' ' THR . . . 44.13 34.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 42.329999999999998 111.052 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 115' ' ' ALA . 22.6 p -156.93 -35.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 62.509999999999998 111.146 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.752 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 58.31 153.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 42.100000000000001 111.096 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.29 94.34 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.420000000000002 111.091 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m 40.78 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.893 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.28 149.78 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 65.5 111.046 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.33 32.89 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.510000000000005 110.825 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 65.540000000000006 111.073 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.331 . . . . 74.510000000000005 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -115.74 -19.31 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 55.039999999999999 111.079 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.32 42.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 53.409999999999997 111.077 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 60.1 93.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 65.040000000000006 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 3.7 mm-40 -91.04 -159.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.219999999999999 110.914 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.53 26.39 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 43.299999999999997 112.503 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -104.87 177.6 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 70.340000000000003 111.159 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 31.8 m -49.61 97.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.140000000000001 111.119 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.611 HG22 ' N ' ' A' ' 10' ' ' ALA . 13.2 mm -49.46 168.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.149999999999999 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.775 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.06 93.22 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.299999999999997 111.108 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HB2' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -62.59 -179.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 71.420000000000002 110.891 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 179.59 28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 73.109999999999999 110.86 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 173.03 29.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.310000000000002 110.868 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.16 -70.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 70.519999999999996 110.932 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.72 -36.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.120000000000005 110.89 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -82.33 -43.24 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.209999999999994 110.907 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -54.5 -49.47 70.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.420000000000002 110.887 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.525 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -58.87 -33.32 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 72.329999999999998 110.86 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -47.66 -18.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.430000000000007 111.078 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.43 ' NE2' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.11 -54.07 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 51.520000000000003 110.873 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.598 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.84 -21.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 70.219999999999999 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -88.5 -30.74 19.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 72.040000000000006 111.109 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.6 mppt? -81.93 24.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.239999999999995 110.897 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.83 -43.36 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 73.019999999999996 111.095 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -71.75 -39.17 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 63.299999999999997 110.938 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.13 -39.05 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.909 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -65.87 -30.2 70.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.549999999999997 111.093 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.42 38.15 7.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 63.420000000000002 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 8.8 ptpt -134.77 155.14 51.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 73.340000000000003 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -65.48 161.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 74.349999999999994 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.596 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 40.9 t -113.66 142.93 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 54.420000000000002 111.158 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.85 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mp -141.17 96.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.409999999999997 111.136 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.06 127.71 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.019999999999996 111.099 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 12.4 t70 -101.57 88.18 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.409999999999997 110.873 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 34.1 m-85 -61.3 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.140000000000001 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 162.68 145.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.229999999999997 111.151 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -83.08 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 64.25 111.124 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -176.83 -31.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.349999999999994 110.844 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 22.5 p90 -126.43 -45.35 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 75.310000000000002 110.92 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 3.9 t -38.93 127.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 70.299999999999997 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.38 141.15 8.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 72.409999999999997 112.503 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -45.39 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 74.150000000000006 112.322 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 t 50.39 43.6 26.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 73.030000000000001 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -160.37 -51.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.896 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -75.54 -46.37 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 75.510000000000005 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.73 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 1.2 tt -92.33 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.319999999999993 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.635 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -47.95 -52.11 42.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 40.420000000000002 111.118 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.4 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 72.150000000000006 112.351 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.989 HG21 ' HD2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -97.68 -41.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 71.239999999999995 111.103 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 105' ' ' LEU . 19.2 m-30 -64.83 -73.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.030000000000001 110.88 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -51.72 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 44.439999999999998 111.113 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 5.8 pt-20 -55.01 -39.23 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.409999999999997 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.718 ' CZ ' HG22 ' A' ' 49' ' ' VAL . 13.0 m-30 -66.21 -48.93 69.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.439999999999998 110.934 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.38 -44.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.430000000000007 111.109 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -81.83 -44.81 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.109999999999999 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -29.26 58.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 110.932 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.95 85.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 73.200000000000003 110.858 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 60.149999999999999 112.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.596 ' C ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 15.08 62.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 52.039999999999999 112.465 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.875 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.0 168.91 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 71.109999999999999 111.106 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 15.8 m -98.59 -34.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 111.153 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.875 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 76.2 m-85 56.35 159.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.329999999999998 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 159.07 148.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 73.230000000000004 110.891 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -112.47 137.33 50.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.109999999999999 110.867 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.745 HG13 HD21 ' A' ' 70' ' ' LEU . 75.0 t -120.14 152.81 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.140000000000001 111.129 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.874 ' O ' HD23 ' A' ' 70' ' ' LEU . 26.0 t0 -111.38 112.12 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 65.400000000000006 110.853 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 36' ' ' THR . 2.6 m -79.94 32.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.01 -12.73 6.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 71.400000000000006 110.836 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 12' ' ' HIS . 13.5 pt-20 -126.25 -31.48 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.876 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.8 pt? -131.57 24.0 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.319999999999993 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.23 -35.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 54.420000000000002 110.903 179.788 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -34.84 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.3 t -77.83 -47.58 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 111.184 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 63.240000000000002 111.091 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.21 -26.76 66.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 72.129999999999995 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -78.9 -33.43 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.040000000000006 110.904 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.4 m-85 -93.86 -17.81 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 64.519999999999996 110.945 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 59.1 t30 72.93 72.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.450000000000003 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.657 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -108.01 -28.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 45.210000000000001 111.109 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 83.67 -70.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.888 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.874 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 172.09 60.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 73.450000000000003 111.108 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.545 ' HE2' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -140.47 164.17 38.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 63.25 110.882 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.78 19.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 73.319999999999993 112.352 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -44.19 126.21 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.131 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.737 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -86.6 46.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 71.129999999999995 110.841 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -32.14 145.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 54.119999999999997 110.951 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 30.9 m-85 -124.39 139.42 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.230000000000004 110.828 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.779 HG12 HD11 ' A' ' 33' ' ' ILE . 9.8 mm -127.12 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 73.319999999999993 111.109 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 8.5 ttmt -75.28 123.8 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 61.119999999999997 110.9 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.9 t70 81.35 -15.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.129999999999995 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.61 42.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 64.25 112.461 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -144.35 -87.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 75.099999999999994 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.68 103.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.420000000000002 110.875 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.13 -34.72 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.1 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER 159.27 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 71.219999999999999 110.901 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.22 171.56 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.120000000000005 110.913 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 98' ' ' VAL . 42.9 t -141.39 -97.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 51.229999999999997 111.13 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.97 128.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.140000000000001 111.143 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.39 46.09 2.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 50.530000000000001 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -157.41 16.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 61.210000000000001 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.482 ' HD3' HG11 ' A' ' 98' ' ' VAL . 9.5 mpt_? -126.19 115.02 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 71.030000000000001 110.861 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.989 ' HD2' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -88.58 7.75 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.049999999999997 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.08 -10.47 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.140000000000001 110.886 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HB3' HG13 ' A' ' 97' ' ' VAL . 2.8 t0 -109.57 -36.2 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 71.030000000000001 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -66.04 -77.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.685 ' CD ' ' H ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -48.43 -18.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 64.530000000000001 110.888 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.799 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.8 m-80 -83.05 -32.37 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.84 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.652 HG23 ' CE1' ' A' ' 112' ' ' HIS . 19.3 m -80.04 -41.42 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 111.128 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.1 mp -57.73 -28.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.209999999999994 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 107' ' ' ASN . 26.0 m -77.51 -26.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 111.189 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 3.1 ptmt -84.12 -28.16 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.200000000000003 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.695 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.1 m170 -100.83 -47.79 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 70.510000000000005 110.854 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.596 HG13 ' C ' ' A' ' 59' ' ' GLY . 11.9 t -94.27 -30.66 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 74.109999999999999 111.161 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.77 -10.72 86.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 53.219999999999999 112.502 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.45 42.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.430000000000007 111.103 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -164.2 -34.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 111.117 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.738 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 55.86 174.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 52.149999999999999 111.094 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.6 -48.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.420000000000002 111.135 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -156.17 99.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 54.149999999999999 110.893 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.0 158.24 20.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 63.310000000000002 111.086 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.6 37.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.150000000000006 110.842 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 73.200000000000003 111.089 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.588 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 2.9 ptt? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.745 0.307 . . . . 73.200000000000003 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 77.04 -72.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 65.129999999999995 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.25 48.01 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 60.530000000000001 111.12 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 62.15 107.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.209999999999994 110.926 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -110.25 -147.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 63.240000000000002 110.854 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.62 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 63.450000000000003 112.492 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.834 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 72.030000000000001 111.14 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.6 m -47.6 93.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.219999999999999 111.157 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.603 HG22 ' N ' ' A' ' 10' ' ' ALA . 14.1 mm -43.05 167.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 73.209999999999994 111.131 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.24 80.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 111.113 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -64.65 159.27 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 110.895 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t-80 -165.43 37.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.858 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.5 OUTLIER 176.94 25.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 52.119999999999997 110.866 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.72 -70.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 61.210000000000001 110.871 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.45 -37.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.854 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.03 -43.68 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 61.340000000000003 110.87 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.73 -40.15 62.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 110.885 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -66.28 -45.37 80.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 71.430000000000007 110.883 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' ASP . . . -36.86 -27.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.519999999999996 111.086 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' ASP . 16.5 mp0 -102.65 -44.51 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.239999999999995 110.914 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.627 ' HA ' ' HE2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.98 -35.16 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 72.200000000000003 110.857 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -88.97 -19.49 25.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 74.140000000000001 111.129 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.21 23.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.887 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.51 -44.62 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 73.200000000000003 111.123 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -67.55 -45.62 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.010000000000005 110.912 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.68 -42.29 61.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.340000000000003 110.862 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 61.240000000000002 111.093 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.75 36.21 12.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 53.210000000000001 112.533 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -129.54 157.41 42.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 63.020000000000003 110.88 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -68.99 163.04 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 52.240000000000002 111.14 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 24' ' ' ALA . 24.5 t -116.95 147.84 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 111.142 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.874 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.73 97.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.200000000000003 111.128 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 88' ' ' ILE . 0.5 OUTLIER -96.56 125.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.340000000000003 111.128 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.93 89.97 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.873 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.824 ' CD2' HG11 ' A' ' 79' ' ' VAL . 49.1 m-85 -60.24 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.4 OUTLIER 161.58 129.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.109999999999999 111.18 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.66 -71.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 71.319999999999993 111.074 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.66 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 71.349999999999994 110.833 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -131.91 -35.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.917 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -37.66 -39.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.400000000000006 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.66 136.32 15.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 74.209999999999994 112.473 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -51.32 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 73.439999999999998 112.343 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.51 43.14 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 52.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -60.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.45 -42.88 74.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.450000000000003 110.871 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.783 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -102.38 10.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 111.104 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.65 -54.23 55.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 63.030000000000001 111.107 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.74 5.76 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 71.209999999999994 112.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.536 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.1 t -101.53 -46.92 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 111.118 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.3 m-30 -64.83 -70.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.329999999999998 110.923 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -50.21 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.340000000000003 111.058 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -58.85 -34.94 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 65.319999999999993 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.1 m-30 -69.52 -48.77 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 110.943 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -38.99 -45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 62.299999999999997 111.121 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.834 ' HD2' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -75.57 -40.52 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -57.72 -28.24 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 45.109999999999999 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 109' ' ' ILE . 19.3 m-85 -113.08 88.14 11.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 70.420000000000002 110.834 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.56 26.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 64.239999999999995 112.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.636 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -87.06 18.7 34.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 52.310000000000002 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.907 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.06 163.67 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 74.040000000000006 111.082 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.624 HG12 ' HD3' ' A' ' 29' ' ' LYS . 24.7 m -94.02 -35.91 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 53.520000000000003 111.131 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.907 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.1 m-85 57.11 158.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.863 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.01 147.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 52.210000000000001 110.927 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.1 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.030000000000001 110.916 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 70' ' ' LEU . 77.6 t -117.69 158.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.892 ' O ' HD23 ' A' ' 70' ' ' LEU . 19.6 t70 -114.32 104.24 11.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 61.229999999999997 110.859 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' HB2' ' A' ' 74' ' ' ALA . 13.4 m -76.94 37.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -127.61 -22.29 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.210000000000001 110.859 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -121.08 -30.17 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 62.310000000000002 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.1 pt? -126.95 22.66 6.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.430000000000007 110.886 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.77 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.887 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.4 pt-20 -35.11 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.91 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' LYS . 65.0 t -78.6 -49.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.400000000000006 111.165 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -63.48 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 50.210000000000001 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.22 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -83.57 -33.84 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.898 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.3 m-85 -93.6 -15.49 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 63.219999999999999 110.904 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 63.4 66.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.150000000000006 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.824 HG11 ' CD2' ' A' ' 35' ' ' PHE . 1.4 m -89.21 -44.11 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.129999999999995 111.129 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.681 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER 98.86 26.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.914 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.785 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 63.25 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 63.409999999999997 111.103 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.518 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 171.75 168.99 0.22 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 64.129999999999995 110.92 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.79 37.97 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 75.150000000000006 112.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.563 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -62.27 121.29 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.230000000000004 111.117 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.1 m-85 -80.36 40.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.893 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.81 144.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 44.450000000000003 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 32.4 m-85 -122.88 143.41 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.349999999999994 110.854 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 12.7 mm -129.51 74.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.140000000000001 111.137 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttmm -77.62 122.97 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.91 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.4 t0 83.25 -7.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.310000000000002 110.809 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.44 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 43.450000000000003 112.471 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.25 -86.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 71.329999999999998 111.098 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -177.99 104.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.099999999999994 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.43 -32.91 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 43.109999999999999 111.106 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 160.08 179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.209999999999994 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.753 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -135.4 172.05 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 61.219999999999999 110.928 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 98' ' ' VAL . 55.2 t -145.2 -100.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 60.43 111.123 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 167.38 145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 72.439999999999998 111.134 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.68 49.87 2.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 52.109999999999999 112.473 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.532 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.11 15.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 43.399999999999999 111.107 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -128.71 114.86 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 72.25 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 13.17 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.549999999999997 110.909 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.9 -3.45 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 64.25 110.875 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.04 -32.07 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 72.040000000000006 110.863 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.679 HD12 ' CD1' ' A' ' 109' ' ' ILE . 8.7 tp -64.66 -74.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 64.420000000000002 110.922 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.809 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.83 -30.66 6.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 110.95 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.626 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 t30 -69.75 -31.48 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.129999999999995 110.87 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.573 HG21 ' CE1' ' A' ' 87' ' ' PHE . 23.4 m -82.66 -43.44 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 63.549999999999997 111.144 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.679 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -60.11 -26.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 111.1 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.2 m -78.76 -29.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 111.143 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.515 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.69 -26.99 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.239999999999995 110.854 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.591 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.6 m170 -103.12 -47.57 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 74.140000000000001 110.865 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -93.99 -29.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 111.155 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.37 -14.41 81.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 65.340000000000003 112.478 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.3 42.57 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 42.240000000000002 111.113 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 m -165.48 -35.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 64.140000000000001 111.114 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.724 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 55.0 -170.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 65.230000000000004 111.101 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -104.77 -80.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.0 t -160.33 130.84 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.871 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.96 -179.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.2 p -100.22 -49.67 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 55.130000000000003 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.409999999999997 111.092 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 62.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -117.57 -16.94 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 75.150000000000006 111.121 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.7 41.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.420000000000002 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' CG ' HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER 59.06 90.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 74.519999999999996 110.925 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.74 -158.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 53.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.24 27.31 3.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 52.229999999999997 112.454 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.917 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -109.51 178.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 62.420000000000002 111.168 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.925 HG22 ' HA ' ' A' ' 51' ' ' ALA . 15.8 m -44.15 92.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.5 111.116 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 10' ' ' ALA . 46.2 mm -38.16 158.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.510000000000005 111.15 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -120.6 73.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 63.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.029 ' HB2' HD11 ' A' ' 63' ' ' LEU . 38.3 t -47.62 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.911 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 7.4 m80 63.72 27.15 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.209999999999994 110.864 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ASP . 19.2 t30 -160.97 11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.150000000000006 110.899 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.582 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 59.71 -73.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 110.843 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -30.5 -37.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.239999999999995 110.852 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -80.77 -43.1 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.120000000000005 110.863 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.91 -42.26 47.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.89 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.6 m-20 -68.15 -35.91 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 71.239999999999995 110.865 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.79 67.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 62.409999999999997 111.072 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.41 -50.6 6.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.901 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.476 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -51.04 -26.7 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.010000000000005 110.856 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -91.81 -21.42 20.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 61.229999999999997 111.133 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -83.16 20.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.33 -44.91 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.349999999999994 111.123 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -65.33 -42.26 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.881 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -85.88 -41.26 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.200000000000003 110.912 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.69 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 61.43 111.113 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.98 35.57 8.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 62.530000000000001 112.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.3 ptpt -134.65 161.14 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.239999999999995 110.895 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.793 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -72.54 161.84 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.129 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.59 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.5 t -112.55 144.67 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 52.109999999999999 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.18 97.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.97 122.55 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 111.123 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.672 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -97.88 93.52 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.891 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.9 ' CD2' HG11 ' A' ' 79' ' ' VAL . 36.6 m-85 -63.89 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 110.862 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 159.08 137.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 61.350000000000001 111.104 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . . . -80.15 -69.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 71.540000000000006 111.109 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -179.34 -48.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.010000000000005 110.886 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -97.88 -44.26 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 71.319999999999993 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 22.2 p -51.6 171.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.299999999999997 110.855 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.92 139.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 75.519999999999996 112.53 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -51.39 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 53.140000000000001 112.323 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.88 44.25 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 74.430000000000007 110.863 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 -164.71 -55.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.239999999999995 110.841 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.33 -42.49 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.450000000000003 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.1 tt -102.98 10.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 45.119999999999997 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.84 -54.66 51.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 71.099999999999994 111.111 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 75.530000000000001 112.362 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG13 ' CE2' ' A' ' 53' ' ' TYR . 6.9 t -101.93 -47.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 111.105 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.8 m-30 -63.06 -69.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.04 -47.78 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 73.310000000000002 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -63.61 -32.0 73.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 64.129999999999995 110.929 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' CE2' HG13 ' A' ' 49' ' ' VAL . 6.4 m-30 -72.7 -44.24 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 62.210000000000001 110.943 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -42.47 -42.68 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 74.540000000000006 111.136 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.917 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.0 mtpp -78.17 -41.57 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.88 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.1 mtmt -54.89 -28.31 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.921 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.654 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 13.6 m-85 -113.22 87.92 11.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.742 . . . . 73.439999999999998 110.899 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.95 13.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.647 2.231 . . . . 65.329999999999998 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.797 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -92.32 20.09 45.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 74.540000000000006 112.462 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.23 164.37 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 31.199999999999999 111.09 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 29' ' ' LYS . 28.8 m -93.42 -37.18 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.6 m-85 58.74 145.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 55.310000000000002 110.891 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.029 HD11 ' HB2' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.98 146.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.94 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.07 126.29 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.89 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -121.35 173.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 111.145 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.853 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.6 t70 -118.88 121.05 39.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 71.310000000000002 110.93 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.899 HG21 ' HA ' ' A' ' 81' ' ' ALA . 17.9 m -82.76 30.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 70.230000000000004 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.94 -22.99 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 64.329999999999998 110.912 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 12' ' ' HIS . 12.4 pt-20 -115.12 -37.94 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 44.009999999999998 110.857 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -120.48 22.87 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 53.340000000000003 110.901 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.28 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.409999999999997 110.921 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pt-20 -35.55 -28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.239999999999995 110.909 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -79.69 -46.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 71.430000000000007 111.079 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.936 ' HB1' ' CG2' ' A' ' 79' ' ' VAL . . . -65.55 -29.41 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 111.144 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.67 -21.82 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.75 -37.53 35.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 75.540000000000006 110.902 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.706 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.4 m-85 -91.73 -14.91 29.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.219999999999999 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 61.52 69.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 73.439999999999998 110.905 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -83.52 -96.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 65.219999999999999 111.125 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER 154.2 37.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 60.140000000000001 110.92 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.899 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 51.09 63.85 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 111.053 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.52 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -154.25 171.08 7.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 51.310000000000002 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.74 18.91 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 73.510000000000005 112.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.889 HG21 HG12 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -43.75 127.82 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.319999999999993 111.149 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.672 ' CE1' ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.14 55.75 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.230000000000004 110.869 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -45.44 142.74 2.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 64.299999999999997 110.916 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 37.8 m-85 -120.52 145.93 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.219999999999999 110.863 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.776 HG12 HD11 ' A' ' 33' ' ' ILE . 10.5 mm -132.0 75.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.329999999999998 111.1 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpp -76.63 122.36 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.899 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.32 -18.07 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 75.430000000000007 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.54 43.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 72.25 112.522 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -146.97 -87.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 54.340000000000003 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -174.5 105.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 71.109999999999999 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.79 -31.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.519999999999996 111.107 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 3.2 m-20 157.23 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.450000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.17 -169.33 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 61.229999999999997 110.918 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.863 HG12 ' N ' ' A' ' 98' ' ' VAL . 35.7 t -161.37 -96.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 111.177 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.863 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 156.46 124.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.519999999999996 111.075 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.19 43.72 2.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 65.430000000000007 112.503 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.14 12.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 63.439999999999998 111.156 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -126.07 114.54 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.319999999999993 110.914 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 46' ' ' ILE . 3.3 tmtt? -84.64 7.61 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 71.540000000000006 110.891 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 25.7 t0 -124.87 -8.92 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.109999999999999 110.881 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.408 ' HB3' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -107.22 -21.49 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 65.400000000000006 110.875 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.5 tp -74.79 -75.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.439999999999998 110.91 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.899 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.29 -24.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.140000000000001 110.906 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 m-80 -74.0 -35.57 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 54.240000000000002 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.647 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -79.72 -43.42 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 65.209999999999994 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.3 mp -59.4 -27.14 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 64.010000000000005 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.3 m -78.39 -28.66 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 70.200000000000003 111.079 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -82.0 -29.19 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.793 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.4 m170 -99.68 -47.62 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.831 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -94.48 -30.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 111.129 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.46 -11.35 85.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 74.150000000000006 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.81 38.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 64.430000000000007 111.093 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.7 m -158.75 -35.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 72.400000000000006 111.157 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.759 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 53.5 93.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 41.43 111.068 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -37.81 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 45.409999999999997 111.081 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.9 p -145.17 140.51 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 64.230000000000004 110.849 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.29 165.55 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 64.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -172.79 88.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.030000000000001 110.88 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 44.149999999999999 111.039 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' ALA . 3.0 mpp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.799 0.333 . . . . 70.430000000000007 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.439 ' HB1' ' CG ' ' A' ' 5' ' ' GLU . . . 34.55 -107.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 111.132 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.93 12.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 63.020000000000003 111.111 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.8 57.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 54.119999999999997 110.927 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 1.1 mm-40 -97.1 -146.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 40.219999999999999 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.68 17.07 9.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.140000000000001 112.521 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.966 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -102.38 175.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 71.319999999999993 111.118 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.1 m -50.24 94.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 10' ' ' ALA . 37.8 mm -42.41 166.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.140000000000001 111.088 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.643 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.4 74.69 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.439999999999998 111.121 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -64.47 161.5 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 65.030000000000001 110.929 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 77.7 m-70 -167.23 34.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 70.310000000000002 110.856 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 0.8 OUTLIER -178.09 25.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 110.862 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 65.35 -68.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.040000000000006 110.925 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -28.76 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 61.409999999999997 110.82 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.4 mt-10 -80.61 -43.53 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 71.120000000000005 110.883 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.35 -42.08 61.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 71.420000000000002 110.851 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.636 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.56 -46.64 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.549999999999997 110.909 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.57 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 111.099 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.3 OUTLIER -100.41 -53.28 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.92 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.23 -19.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.46 -21.85 14.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 111.119 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.2 mttt -84.22 26.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.120000000000005 110.855 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -132.42 -42.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 72.150000000000006 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.87 -39.75 87.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 75.129999999999995 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.66 -40.82 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.099999999999994 110.879 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -69.32 -26.38 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.200000000000003 111.102 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.07 35.02 10.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 71.400000000000006 112.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -125.8 169.8 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 72.329999999999998 110.896 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -81.79 161.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 64.430000000000007 111.098 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.578 ' N ' HG13 ' A' ' 30' ' ' VAL . 38.6 t -116.25 146.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 62.310000000000002 111.146 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.27 97.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 70.109999999999999 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.917 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -97.26 133.03 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.299999999999997 111.132 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -109.18 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 62.350000000000001 110.859 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.668 ' CE2' HG11 ' A' ' 79' ' ' VAL . 59.5 m-85 -69.04 -161.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 55.5 110.877 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.652 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER 163.13 121.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.171 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -58.92 -53.33 59.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 72.400000000000006 111.112 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.14 -53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.841 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -71.5 -45.7 61.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.941 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t 65.43 145.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 54.340000000000003 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.71 -97.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 43.219999999999999 112.458 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 54.0 Cg_endo -69.72 -90.86 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 54.25 112.347 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' PRO . 1.7 t 80.44 -4.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 72.239999999999995 110.916 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -130.57 -34.5 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 71.209999999999994 110.853 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -79.58 -40.9 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.701 HG23 ' CE2' ' A' ' 50' ' ' PHE . 5.1 tt -103.42 9.4 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.439999999999998 111.12 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.62 -55.19 45.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 53.420000000000002 111.142 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 72.409999999999997 112.353 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 2.6 t -100.5 -48.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 111.167 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 46' ' ' ILE . 23.7 m-85 -62.64 -71.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.030000000000001 110.832 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.47 -50.9 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.310000000000002 111.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.1 pt-20 -60.37 -33.87 73.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 61.549999999999997 110.926 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.3 m-30 -70.36 -43.59 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.340000000000003 110.939 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -44.95 -43.02 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 64.239999999999995 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.966 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.0 mtpp -78.85 -42.76 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.049999999999997 110.902 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 1.6 mtmt -54.9 -28.29 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 70.420000000000002 110.917 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.537 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.1 m-85 -113.06 88.69 12.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.652 0.739 . . . . 61.109999999999999 110.841 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -4.39 13.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 42.210000000000001 112.385 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.71 20.4 42.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 60.43 112.517 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.899 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.42 169.1 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 71.109999999999999 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.504 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 34.6 m -102.68 -34.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.43 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.899 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 56.12 161.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.040000000000006 110.85 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.917 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 161.83 147.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 71.310000000000002 110.928 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.22 133.95 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.010000000000005 110.882 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.98 168.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 111.107 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.6 t0 -114.01 120.61 41.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.109999999999999 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 74' ' ' ALA . 11.8 m -79.2 38.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.409999999999997 111.11 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -128.71 -17.83 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.829 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -120.11 -32.23 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.409999999999997 110.903 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -126.19 25.05 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 63.530000000000001 110.952 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -34.44 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.891 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.6 pt-20 -43.04 -22.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 73.150000000000006 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 46.1 t -93.53 -29.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 63.200000000000003 111.085 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.874 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -83.17 -7.81 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 53.509999999999998 111.098 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -104.23 -21.0 13.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 63.329999999999998 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.64 ' CD ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -82.81 -23.97 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.530000000000001 110.874 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' A' ' 76' ' ' LYS . 17.0 m-85 -101.45 -23.09 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 110.885 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 5.3 t-20 82.46 73.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.873 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -102.41 -32.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 74.340000000000003 111.125 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER 89.73 -74.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.239999999999995 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 172.64 86.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 71.209999999999994 111.082 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.567 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 177.01 167.84 0.45 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.725 . . . . 75.219999999999999 110.859 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 82' ' ' MET . 54.0 Cg_endo -69.73 40.03 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 72.5 112.385 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -54.56 126.85 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 71.010000000000005 111.112 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -83.19 39.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.439999999999998 110.916 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -32.35 143.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 70.230000000000004 110.884 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.2 m-85 -121.81 148.28 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.87 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.738 HG12 HD11 ' A' ' 33' ' ' ILE . 7.7 mm -131.77 72.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 55.420000000000002 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 5.5 ttmm -75.16 122.97 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 64.209999999999994 110.86 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.6 t70 82.87 -10.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.831 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.74 41.61 2.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 42.32 112.482 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.45 -85.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 75.319999999999993 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -176.09 111.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.450000000000003 110.928 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -96.11 -29.96 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 43.409999999999997 111.106 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 158.72 179.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.849 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.576 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.62 170.16 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.319999999999993 110.9 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 98' ' ' VAL . 54.0 t -141.76 -100.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.510000000000005 111.132 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 165.2 138.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 63.420000000000002 111.197 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.51 48.6 4.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 62.219999999999999 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.488 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.87 17.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 60.219999999999999 111.101 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -128.48 100.38 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 71.129999999999995 110.867 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -75.7 4.46 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 53.520000000000003 110.876 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -121.83 -7.29 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 52.149999999999999 110.854 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.2 -15.79 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 11.4 tp -76.09 -76.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.350000000000001 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.805 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.11 -29.77 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 71.239999999999995 110.921 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.9 t30 -67.21 -32.54 73.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.619 HG23 ' CE1' ' A' ' 112' ' ' HIS . 11.8 m -83.72 -43.16 15.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 71.430000000000007 111.171 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.594 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.5 mp -59.83 -26.95 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 111.165 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.13 -31.26 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 71.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.467 ' CG ' ' CD2' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -78.77 -29.59 45.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.913 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.815 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.4 m170 -99.59 -47.78 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 74.200000000000003 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -94.25 -30.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 70.340000000000003 111.142 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.8 -12.36 83.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 74.200000000000003 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.11 25.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 62.200000000000003 111.125 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 114' ' ' GLY . 83.8 m -144.16 -35.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.109999999999999 111.138 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.73 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 57.24 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 24.32 111.094 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -130.98 81.57 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 111.09 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 m 51.43 43.75 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.439999999999998 110.884 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.89 146.18 25.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 71.439999999999998 111.092 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.6 m -134.96 89.07 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.030000000000001 110.918 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.340000000000003 111.137 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 71.120000000000005 110.911 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 69.93 0.57 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 62.149999999999999 111.087 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.91 -8.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 63.020000000000003 111.102 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HG2' HD12 ' A' ' 9' ' ' ILE . 65.6 tt0 -176.41 78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 41.229999999999997 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.9 mm-40 -90.07 -157.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 54.140000000000001 110.911 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.65 16.52 14.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 63.539999999999999 112.53 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.996 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -96.41 179.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 71.420000000000002 111.135 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 51' ' ' ALA . 26.8 m -48.79 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.010000000000005 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.62 HG22 ' N ' ' A' ' 10' ' ' ALA . 43.7 mm -41.13 164.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.349999999999994 111.179 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -134.3 87.03 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 70.219999999999999 111.092 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' N ' ' A' ' 17' ' ' PHE . 60.2 m -103.02 118.6 37.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.874 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -125.84 43.98 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 11.7 t-20 -160.36 18.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.922 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.691 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.24 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.299999999999997 110.91 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -34.43 -34.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.887 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' C ' ' HG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.65 -37.87 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 73.450000000000003 110.859 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.05 -34.91 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.88 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.511 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -66.78 -32.3 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 73.409999999999997 110.885 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -18.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.25 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' CD ' HG13 ' A' ' 9' ' ' ILE . 7.8 mp0 -109.13 -54.53 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.219999999999999 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 1.026 ' SD ' HG11 ' A' ' 31' ' ' VAL . 2.5 tpp -48.76 -20.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -95.51 -27.22 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.209999999999994 111.115 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -74.46 9.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 62.5 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -108.44 -44.14 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.113 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.549999999999997 110.883 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.06 -44.21 48.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 110.914 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.61 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -78.21 -22.12 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.040000000000006 111.115 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.71 37.24 20.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 44.539999999999999 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -122.31 164.31 18.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 73.200000000000003 110.928 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 89' ' ' LYS . 1.1 t -75.78 159.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.340000000000003 111.16 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 1.026 HG11 ' SD ' ' A' ' 21' ' ' MET . 70.8 t -118.7 145.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.329999999999998 111.131 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.3 mp -135.86 99.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 50.229999999999997 111.145 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -97.55 120.55 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 72.420000000000002 111.126 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -92.46 90.17 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 71.349999999999994 110.877 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.759 ' CD2' HG11 ' A' ' 79' ' ' VAL . 18.8 m-85 -64.71 -167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.230000000000004 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.789 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER 163.22 128.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.350000000000001 111.107 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -59.56 -54.38 47.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 52.109999999999999 111.095 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 t 161.23 -36.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.219999999999999 110.827 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.427 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 27.3 p90 -115.41 -45.3 2.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 73.450000000000003 110.922 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 3.1 t -57.31 129.32 41.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 64.109999999999999 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.91 139.84 5.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 64.239999999999995 112.501 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.631 2.22 . . . . 74.540000000000006 112.313 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.69 46.86 14.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 71.329999999999998 110.841 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -167.75 -51.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.010000000000005 110.877 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.23 -43.43 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.78 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.4 tt -103.43 10.04 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 74.540000000000006 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.12 -54.66 50.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 73.519999999999996 111.082 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 6.39 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 75.540000000000006 112.355 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.603 HG13 ' CE2' ' A' ' 53' ' ' TYR . 3.7 t -102.54 -48.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 72.209999999999994 111.117 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.0 m-30 -61.91 -69.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.129999999999995 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.88 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.53 -49.82 44.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 72.239999999999995 111.114 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -60.98 -29.24 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 71.420000000000002 110.847 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CE2' HG13 ' A' ' 49' ' ' VAL . 6.6 m-30 -75.61 -45.9 34.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 73.310000000000002 110.898 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -40.62 -40.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 54.229999999999997 111.109 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.996 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.2 mtpp -80.51 -43.65 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.040000000000006 110.908 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -49.4 -33.89 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 61.310000000000002 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.0 m-85 -108.49 90.36 7.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 54.340000000000003 110.873 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.72 8.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.659 2.239 . . . . 74.120000000000005 112.342 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.6 19.88 52.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 71.329999999999998 112.498 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.827 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.6 163.02 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 73.400000000000006 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.811 HG12 ' HD3' ' A' ' 29' ' ' LYS . 4.3 m -97.66 -29.07 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.530000000000001 111.131 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.827 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 53.55 167.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.519999999999996 110.922 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 33' ' ' ILE . 1.2 tp 159.3 152.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -132.8 126.77 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 53.32 110.893 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -123.71 -176.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 111.115 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.806 ' O ' HD23 ' A' ' 70' ' ' LEU . 4.4 t0 -126.61 124.39 39.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 110.868 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 36' ' ' THR . 14.7 m -84.2 31.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 75.219999999999999 111.133 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -123.15 -15.78 7.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 72.319999999999993 110.862 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -120.51 -34.8 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.209999999999994 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.58 23.96 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.931 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.75 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.510000000000005 110.932 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.7 pt-20 -36.54 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 46.8 t -81.15 -43.83 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 43.140000000000001 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -70.52 -27.65 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 43.25 111.06 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -24.85 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 72.439999999999998 110.912 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.61 -32.99 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.030000000000001 110.923 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.8 m-85 -92.83 -15.36 26.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 63.130000000000003 110.969 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 68.41 69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 75.310000000000002 110.876 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.759 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -98.52 -28.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 73.530000000000001 111.131 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.2 mm-40 87.31 -73.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 54.140000000000001 110.859 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 169.09 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.019999999999996 111.108 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 175.84 166.28 0.41 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 64.010000000000005 110.887 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.79 37.64 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 51.450000000000003 112.361 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -61.74 121.33 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 111.115 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -77.93 44.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 54.240000000000002 110.925 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.663 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.42 141.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.150000000000006 110.906 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 24.6 m-85 -119.8 151.11 39.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.889 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.816 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -137.76 77.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.409999999999997 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.734 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.0 ttpt -77.38 121.76 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 63.109999999999999 110.909 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.1 t70 83.08 -16.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.100000000000001 110.891 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.95 41.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 63.130000000000003 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' C ' HG23 ' A' ' 88' ' ' ILE . . . -143.15 -86.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 54.240000000000002 111.085 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -178.5 106.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.200000000000003 110.911 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.21 -31.74 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.229999999999997 111.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.6 m-20 157.51 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 70.209999999999994 110.894 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.51 172.54 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 51.329999999999998 110.891 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -142.36 -96.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.239999999999995 111.143 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.821 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.19 143.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 111.115 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.28 48.73 2.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 72.140000000000001 112.479 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.97 15.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 75.439999999999998 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 1.7 mpt_? -127.57 115.78 19.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.439999999999998 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.79 11.69 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 75.010000000000005 110.871 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.12 -1.81 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.530000000000001 110.885 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -115.12 -34.48 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 109' ' ' ILE . 12.7 tp -60.05 -72.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 70.230000000000004 110.943 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.854 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -52.53 -18.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.120000000000005 110.912 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -78.06 -34.19 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 63.229999999999997 110.862 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.574 HG21 ' CE1' ' A' ' 87' ' ' PHE . 1.8 m -82.54 -37.15 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 111.096 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.704 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -63.71 -23.4 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 62.229999999999997 111.17 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 106' ' ' GLN . 24.3 m -82.06 -26.66 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 65.129999999999995 111.106 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.525 ' HG2' ' CD2' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -83.77 -28.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 110.889 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.64 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.5 m170 -100.66 -47.12 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 73.040000000000006 110.882 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.3 t -94.56 -30.94 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.94 -19.03 78.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 71.519999999999996 112.538 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 50.24 18.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 34.310000000000002 111.089 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.52 -34.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 64.200000000000003 111.171 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.83 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 54.88 175.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.230000000000004 111.081 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -110.51 -52.02 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 60.140000000000001 111.079 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.1 m -149.58 167.04 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 70.409999999999997 110.866 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.53 39.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 111.088 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.1 t -48.88 -46.38 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.040000000000006 110.836 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.219999999999999 111.135 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.78 0.324 . . . . 71.200000000000003 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -162.98 -33.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 53.520000000000003 111.09 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.29 37.67 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 70.239999999999995 111.077 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' HG3' HD12 ' A' ' 9' ' ' ILE . 12.1 tt0 61.42 86.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 73.540000000000006 110.907 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.3 mm-40 -85.52 -160.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.120000000000005 110.887 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.89 28.09 3.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 74.150000000000006 112.497 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -107.45 176.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 111.118 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.5 m -48.2 94.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 72.129999999999995 111.142 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.621 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.9 mm -42.58 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.049999999999997 111.129 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -146.76 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 61.119999999999997 111.134 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 19.7 p -71.49 -173.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 55.130000000000003 110.913 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 2.5 p-80 -179.84 29.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.887 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.732 HD22 ' HB2' ' A' ' 15' ' ' ASP . 0.1 OUTLIER -165.97 19.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.439999999999998 110.867 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 68.46 -66.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.91 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.732 ' HB2' HD22 ' A' ' 13' ' ' ASN . 0.3 OUTLIER -27.39 -42.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 65.430000000000007 110.862 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -81.84 -44.71 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.889 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.09 -43.24 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.140000000000001 110.879 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.523 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.41 -33.61 76.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 50.420000000000002 110.877 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -52.34 -28.18 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.319999999999993 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 -53.01 4.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.010000000000005 110.943 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.697 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.28 -34.35 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.849 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -83.72 -24.72 31.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 64.109999999999999 111.13 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -82.18 26.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.64 -51.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 62.340000000000003 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -47.11 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.239999999999995 110.88 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.7 -41.9 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 74.209999999999994 110.89 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -67.15 -28.17 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.109999999999999 111.132 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.56 31.06 11.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 55.43 112.475 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD3' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -124.17 170.07 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 72.540000000000006 110.912 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -84.14 160.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.040000000000006 111.1 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.55 ' N ' HG13 ' A' ' 30' ' ' VAL . 49.0 t -112.11 145.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 61.340000000000003 111.182 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.879 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -141.73 98.78 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.329999999999998 111.174 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.828 HG23 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -100.28 128.63 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 111.104 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.6 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -104.24 92.07 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.210000000000001 110.899 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.73 ' CD2' HG11 ' A' ' 79' ' ' VAL . 37.0 m-85 -62.91 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 70.349999999999994 110.876 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.609 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER 159.73 121.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 43.109999999999999 111.184 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.812 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . . . -111.5 -74.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 25.329999999999998 111.078 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.469 ' C ' ' HE3' ' A' ' 39' ' ' TRP . 24.9 p -150.83 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 74.340000000000003 110.826 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.474 ' N ' ' HE3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -77.43 37.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 110.908 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 p -70.76 157.48 37.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 65.510000000000005 110.852 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.24 -119.85 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 72.319999999999993 112.482 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 53.3 Cg_endo -69.83 -61.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 54.329999999999998 112.357 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 42' ' ' PRO . 0.9 OUTLIER 80.56 -24.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.889 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.82 -35.2 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.319999999999993 110.911 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HB3' ' CB ' ' A' ' 42' ' ' PRO . 41.8 t80 -65.12 -46.17 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.150000000000006 110.856 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.763 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.9 tt -97.39 6.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.349999999999994 111.084 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -54.21 -55.08 40.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 52.030000000000001 111.119 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -1.47 8.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 70.010000000000005 112.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 ' CE2' ' A' ' 53' ' ' TYR . 2.8 t -93.5 -43.28 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 52.409999999999997 111.096 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -67.2 -70.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.109999999999999 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.41 -48.58 13.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 32.119999999999997 111.106 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 48' ' ' PRO . 8.0 pt-20 -61.19 -35.3 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.859 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.67 ' CE2' HG13 ' A' ' 49' ' ' VAL . 9.1 m-30 -69.56 -44.88 69.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 72.120000000000005 110.894 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.33 -44.83 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 71.510000000000005 111.113 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.2 mtpp -76.97 -41.55 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 71.299999999999997 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -56.99 -24.36 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 72.540000000000006 110.875 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.5 m-85 -117.08 88.99 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 74.099999999999994 110.875 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.87 29.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 72.420000000000002 112.347 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.815 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -86.31 21.77 15.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 65.120000000000005 112.516 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.16 167.63 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 72.340000000000003 111.04 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HD3' ' A' ' 29' ' ' LYS . 6.2 m -100.06 -36.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.8 m-85 57.55 153.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.510000000000005 110.869 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.73 148.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 74.129999999999995 110.946 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.715 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.88 132.35 54.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.519999999999996 110.911 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -128.52 158.63 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.040000000000006 111.133 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.682 ' O ' HD23 ' A' ' 70' ' ' LEU . 15.9 t0 -105.41 123.91 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.884 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.812 ' CG2' ' HB2' ' A' ' 37' ' ' ALA . 15.3 m -82.87 35.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 73.109999999999999 111.15 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -125.95 -21.7 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.450000000000003 110.882 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 1.5 pt-20 -113.73 -36.13 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.219999999999999 110.887 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.2 pt? -126.59 22.94 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.439999999999998 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.29 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 72.510000000000005 110.893 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pt-20 -35.5 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 44.329999999999998 110.908 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 81.0 t -79.29 -46.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 111.103 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -68.0 -24.33 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.39 -24.3 60.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.884 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -81.42 -33.62 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 64.030000000000001 110.86 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.8 m-85 -91.9 -14.72 29.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 70.420000000000002 110.946 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 12.0 t-20 68.94 71.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 64.129999999999995 110.885 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.73 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -104.05 -25.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.010000000000005 111.128 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 2.2 mm-40 86.78 -71.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.907 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . 169.82 59.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 72.120000000000005 111.079 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.546 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -142.66 167.85 15.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.701 . . . . 60.310000000000002 110.858 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.75 22.26 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 53.32 112.368 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -43.53 127.71 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 111.077 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.719 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.7 45.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.310000000000002 110.918 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.26 146.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 71.200000000000003 110.919 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 33.2 m-85 -126.0 139.95 53.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 61.009999999999998 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.53 ' CG1' HD11 ' A' ' 33' ' ' ILE . 7.3 mm -127.71 76.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.430000000000007 111.143 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.5 ttmt -79.33 121.89 25.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.400000000000006 110.897 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 84.12 -13.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.430000000000007 110.858 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.34 45.37 1.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 73.230000000000004 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.98 -87.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 65.450000000000003 111.107 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -177.52 102.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 70.230000000000004 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.03 -34.62 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 63.32 111.065 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 87' ' ' PHE . 1.5 m-20 159.62 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.349999999999994 110.855 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.05 171.9 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 70.219999999999999 110.873 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 42.1 t -141.7 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.530000000000001 111.111 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.12 131.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 42.200000000000003 111.1 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.59 46.17 2.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 63.509999999999998 112.435 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.515 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -159.43 18.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 60.149999999999999 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.504 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.2 mpt_? -123.87 100.94 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 73.239999999999995 110.881 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 7.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 75.450000000000003 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -129.17 -5.44 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.0 110.887 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 1.9 t0 -112.85 -19.0 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 52.530000000000001 110.835 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 50' ' ' PHE . 33.3 tp -80.67 -72.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 72.530000000000001 110.901 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.734 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.84 -16.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.150000000000006 110.918 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.733 ' O ' HG22 ' A' ' 110' ' ' VAL . 7.3 t30 -85.26 -30.14 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.409999999999997 110.866 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.613 HG23 ' CE1' ' A' ' 112' ' ' HIS . 11.0 m -83.08 -40.41 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.409999999999997 111.106 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.576 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -61.27 -24.69 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 75.040000000000006 111.196 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 107' ' ' ASN . 34.3 m -78.6 -29.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.040000000000006 111.106 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.532 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.58 -27.74 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 72.420000000000002 110.907 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.801 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.0 m170 -101.35 -46.71 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.019999999999996 110.829 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -95.97 -29.5 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.439999999999998 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.2 -12.18 83.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 41.5 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.74 ' O ' HG23 ' A' ' 116' ' ' THR . . . 46.15 20.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 72.219999999999999 111.105 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 115' ' ' ALA . 18.3 p -165.19 53.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 74.549999999999997 111.176 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.649 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . -32.2 -54.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 51.43 111.1 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.33 85.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.040000000000006 111.068 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 t -171.96 145.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 34.149999999999999 110.836 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -93.7 137.27 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 54.420000000000002 111.153 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.08 108.09 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 71.040000000000006 110.877 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.219999999999999 111.098 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.737 0.303 . . . . 72.120000000000005 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.457 ' HB1' ' CG ' ' A' ' 5' ' ' GLU . . . -104.45 -108.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 73.019999999999996 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.66 11.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 62.310000000000002 111.114 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -178.92 55.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.430000000000007 110.844 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 1.5 mm-40 -93.34 -147.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.349999999999994 110.898 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.5 19.73 5.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 73.099999999999994 112.482 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.927 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -103.19 177.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 43.520000000000003 111.16 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.849 HG22 ' HA ' ' A' ' 51' ' ' ALA . 29.3 m -53.06 95.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 111.089 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 23.8 mm -44.27 168.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -143.57 81.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.019999999999996 111.068 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.0 -179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 71.340000000000003 110.91 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 178.98 28.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.549999999999997 110.853 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.6 p-10 174.56 27.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 110.9 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.6 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 63.94 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.310000000000002 110.895 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -29.84 -40.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.510000000000005 110.844 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -79.46 -42.21 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.916 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.27 -39.17 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 75.099999999999994 110.927 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -69.09 -32.51 71.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 73.540000000000006 110.89 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.19 -16.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 52.130000000000003 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -106.22 -52.64 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.895 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.44 -24.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.530000000000001 110.867 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.63 -25.06 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 71.540000000000006 111.125 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -83.55 27.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.875 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.31 -44.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 70.120000000000005 111.11 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -40.05 80.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 64.120000000000005 110.898 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.1 -43.28 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 75.129999999999995 110.897 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.06 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.140000000000001 111.127 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.46 35.8 7.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 65.340000000000003 112.507 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.7 ptpt -134.15 155.44 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 72.030000000000001 110.958 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -67.59 163.49 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 50.8 t -114.47 144.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.891 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.01 97.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.540000000000006 111.096 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.28 125.4 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 53.520000000000003 111.156 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -103.02 96.71 6.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.892 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.653 ' CD2' HG11 ' A' ' 79' ' ' VAL . 50.4 m-85 -61.3 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 62.409999999999997 110.89 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER 158.44 123.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 41.5 111.119 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.73 -55.9 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 64.409999999999997 111.08 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -169.75 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 70.329999999999998 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.89 -36.89 27.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 t 53.65 33.91 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.399999999999999 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.53 -122.86 30.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 43.020000000000003 112.481 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' ARG . 54.2 Cg_endo -69.69 -45.03 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 74.329999999999998 112.34 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 t 42.02 25.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.340000000000003 110.842 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 42' ' ' PRO . 1.3 mtt-85 -156.61 -37.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.040000000000006 110.872 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -79.53 -40.84 28.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.430000000000007 110.839 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.8 tt -105.04 9.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.209999999999994 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.7 -54.89 48.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.544 0.688 . . . . 42.530000000000001 111.095 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.8 4.25 2.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 70.109999999999999 112.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.2 t -98.74 -48.6 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.200000000000003 111.111 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.767 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.9 m-30 -63.33 -72.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.340000000000003 110.849 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.849 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.9 -48.23 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 62.109999999999999 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -64.29 -31.49 72.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 61.299999999999997 110.86 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.656 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -70.64 -46.32 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.887 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.24 -44.36 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 70.450000000000003 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.927 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.8 mtpp -76.78 -41.29 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 65.400000000000006 110.935 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.2 mtmt -55.65 -28.29 54.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 70.409999999999997 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.3 m-85 -114.48 89.19 17.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 75.439999999999998 110.881 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -6.15 17.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.430000000000007 112.337 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.01 19.68 40.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 71.340000000000003 112.505 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.908 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.88 162.67 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 74.319999999999993 111.077 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.508 HG12 ' HD2' ' A' ' 29' ' ' LYS . 27.2 m -94.78 -33.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 53.039999999999999 111.149 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.908 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 56.25 160.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.030000000000001 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.879 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.03 150.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 65.209999999999994 110.917 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -118.36 131.85 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.420000000000002 110.924 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.837 HG12 HG22 ' A' ' 33' ' ' ILE . 2.5 p -119.19 149.76 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 64.409999999999997 111.154 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 70' ' ' LEU . 9.9 t0 -101.87 120.47 40.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 71.540000000000006 110.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.955 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.7 m -88.13 37.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 40.409999999999997 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -131.01 -24.19 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 54.310000000000002 110.819 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD22 ' A' ' 70' ' ' LEU . 2.0 pp20? -114.15 -35.05 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.909 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -125.63 26.59 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -31.67 -30.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 72.230000000000004 110.906 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -38.58 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.400000000000006 110.856 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.538 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 19.0 t -86.96 -36.69 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.955 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -74.07 -11.4 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 72.430000000000007 111.096 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.56 -20.41 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.409999999999997 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.14 -27.88 35.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.239999999999995 110.857 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.722 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.0 m-30 -99.44 -14.79 18.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.430000000000007 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 45.8 t30 66.66 68.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.210000000000001 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.653 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -91.26 -85.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 74.140000000000001 111.116 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.5 OUTLIER 154.24 -59.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.911 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 157.59 45.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.12 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.561 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -139.91 173.3 5.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 75.219999999999999 110.882 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.74 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.248 . . . . 72.510000000000005 112.377 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.23 123.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 111.149 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -86.75 64.22 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 61.450000000000003 110.887 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.808 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -51.64 145.57 8.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 52.520000000000003 110.867 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 42.6 m-85 -123.51 135.48 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 110.856 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.722 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 7.1 mm -121.74 76.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.140000000000001 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.953 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpt -77.86 121.44 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 73.040000000000006 110.908 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 8.1 t0 84.62 -17.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.240000000000002 110.816 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.26 44.52 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.713 . . . . 40.229999999999997 112.484 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.34 -86.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 73.219999999999999 111.087 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -174.23 106.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.889 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.953 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.27 -30.51 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 41.399999999999999 111.134 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 156.82 -178.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.310000000000002 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.808 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.11 -170.43 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.409999999999997 110.914 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.819 HG12 ' N ' ' A' ' 98' ' ' VAL . 41.5 t -162.48 -98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.230000000000004 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.819 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.74 125.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.319999999999993 111.139 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.22 48.1 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 71.400000000000006 112.498 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.23 13.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.010000000000005 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -127.51 113.96 16.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 62.409999999999997 110.827 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.19 4.53 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.109999999999999 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 18.0 t70 -123.09 -7.52 8.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 55.329999999999998 110.83 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.77 -23.47 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 70.409999999999997 110.869 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 109' ' ' ILE . 23.7 tp -74.35 -77.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.88 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.21 -24.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.939 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 m-80 -75.2 -36.34 61.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 54.219999999999999 110.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.633 HG21 ' CE1' ' A' ' 87' ' ' PHE . 11.5 m -79.11 -37.52 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 111.196 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.569 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -65.22 -26.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.11 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.0 m -79.03 -28.63 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 54.210000000000001 111.097 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -81.6 -26.17 35.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.842 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.891 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.3 m170 -103.59 -47.8 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.299999999999997 110.895 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -94.12 -30.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.4 -11.0 85.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 74.409999999999997 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 116' ' ' THR . . . 38.56 34.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 64.109999999999999 111.072 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 115' ' ' ALA . 18.0 p -157.34 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.219999999999999 111.134 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.677 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 64.78 -75.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 60.43 111.115 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 117' ' ' ALA . . . 73.79 82.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 64.239999999999995 111.12 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.3 p -179.88 146.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.109999999999999 110.892 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 58.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 111.113 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 m 52.04 -92.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 110.8 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 62.0 111.086 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' ALA . 4.9 mmt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.801 0.334 . . . . 61.32 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 58.17 118.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 51.109999999999999 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.51 6.47 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 51.200000000000003 111.137 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' HD12 ' A' ' 9' ' ' ILE . 1.6 tt0 -179.36 57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.875 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.25 -147.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.871 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.73 22.14 5.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 54.219999999999999 112.491 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.77 176.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 74.25 111.138 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.9 m -50.56 96.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.349999999999994 111.135 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 32.8 mm -42.2 166.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.76 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -145.98 75.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 63.119999999999997 111.068 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 17.0 p -75.65 -168.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 73.030000000000001 110.863 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 175.09 30.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 55.310000000000002 110.839 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.88 21.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 51.119999999999997 110.866 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.623 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 67.24 -68.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.430000000000007 110.89 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -24.76 -46.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.899 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -80.62 -44.22 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.879 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -50.56 -41.99 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.239999999999995 110.88 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -64.74 -37.69 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.210000000000001 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.82 -22.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 63.399999999999999 111.137 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.69 -51.3 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 71.510000000000005 110.897 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.51 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.4 -17.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 54.329999999999998 110.865 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.55 -20.87 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.319999999999993 111.182 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -82.79 20.5 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.120000000000005 110.925 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 29' ' ' LYS . . . -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.519999999999996 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -68.01 -47.15 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 65.420000000000002 110.873 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -43.59 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 72.219999999999999 110.901 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.67 -26.42 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.349999999999994 111.072 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.89 30.73 22.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 42.439999999999998 112.517 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.84 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -122.04 148.91 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 70.219999999999999 110.929 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -64.36 162.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 62.020000000000003 111.117 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.588 ' N ' HG13 ' A' ' 30' ' ' VAL . 39.8 t -114.82 152.61 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.030000000000001 111.16 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.5 mp -144.69 94.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.329999999999998 111.132 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.006 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -92.68 121.02 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 111.094 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -100.78 92.64 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.852 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.716 ' O ' HG22 ' A' ' 36' ' ' THR . 54.2 m-85 -65.74 -165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 74.319999999999993 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 35' ' ' PHE . 1.7 t 147.15 130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.168 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.847 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . 164.33 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.229999999999997 111.089 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 3.2 t -32.11 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 70.049999999999997 110.818 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -163.56 -31.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.099999999999994 110.908 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 39' ' ' TRP . 18.1 p 178.26 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.899 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' N ' ' SG ' ' A' ' 40' ' ' CYS . . . -178.0 140.57 4.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 61.140000000000001 112.48 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' ARG . 54.1 Cg_endo -69.72 -53.41 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.756 2.304 . . . . 73.310000000000002 112.343 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.691 ' C ' ' HB2' ' A' ' 47' ' ' ALA . 1.8 t 32.32 35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.310000000000002 110.854 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' PRO . 2.8 mtt180 -131.08 -50.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.439999999999998 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -76.18 -45.78 31.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.030000000000001 110.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -104.33 9.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.450000000000003 111.118 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.691 ' HB2' ' C ' ' A' ' 43' ' ' CYS . . . -55.32 -55.34 40.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 63.509999999999998 111.066 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.2 Cg_endo -69.71 4.5 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.718 2.279 . . . . 73.450000000000003 112.365 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.635 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.6 t -100.48 -48.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.530000000000001 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -61.71 -71.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 54.140000000000001 110.822 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -51.06 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.420000000000002 111.072 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.7 pt-20 -59.69 -30.77 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.1 m-30 -73.54 -47.45 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.540000000000006 110.933 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.49 -42.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 55.130000000000003 111.103 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.8 mtpp -77.77 -39.95 42.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 7.2 mtmt -55.4 -31.34 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 110.93 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.642 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.4 m-85 -110.24 90.19 9.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 75.019999999999996 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.2 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 65.549999999999997 112.348 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.805 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.96 21.45 44.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.872 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.74 163.79 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 44.299999999999997 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 29' ' ' LYS . 15.0 m -96.85 -35.09 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.409999999999997 111.157 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.872 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 91.5 m-85 57.02 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 60.450000000000003 110.935 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.006 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 164.17 149.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.902 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.18 133.64 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.549999999999997 110.856 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.738 HG23 HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -132.99 160.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 63.420000000000002 111.116 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -109.28 119.42 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.230000000000004 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.847 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 11.5 m -76.84 36.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.75 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 33.7 t0 -128.08 -21.97 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.109999999999999 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -109.84 -38.98 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.019999999999996 110.871 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -127.65 21.71 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.899 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.85 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 72.349999999999994 110.847 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.2 pt-20 -34.7 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 55.409999999999997 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 63.1 t -78.34 -47.12 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.673 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -62.35 -32.14 72.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 70.409999999999997 111.089 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.55 -26.28 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.340000000000003 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -75.97 -29.6 58.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.612 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.3 m-85 -95.83 -24.33 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.450000000000003 110.912 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 6.4 t-20 80.93 64.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 71.140000000000001 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -92.95 -23.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 54.439999999999998 111.099 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 85.88 -71.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.912 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 167.69 94.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.219999999999999 111.059 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.533 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 170.85 171.0 0.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 64.099999999999994 110.916 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.4 Cg_endo -69.75 37.67 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 62.009999999999998 112.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.6 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -55.63 129.56 39.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 74.340000000000003 111.124 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.702 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -86.13 41.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 110.881 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -33.97 146.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 71.200000000000003 110.914 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.694 ' H ' HD13 ' A' ' 86' ' ' LEU . 29.9 m-85 -123.61 156.53 35.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.299999999999997 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.843 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -142.25 80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 73.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.707 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -81.28 120.36 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 63.329999999999998 110.933 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 6.1 t0 82.88 -9.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.120000000000005 110.832 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.9 43.26 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 30.34 112.459 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.54 -90.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.315 . . . . 33.5 111.09 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD11 ' A' ' 86' ' ' LEU . 20.2 tt0 -174.66 99.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.310000000000002 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -79.96 -35.79 37.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 111.061 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 87' ' ' PHE . 4.3 m-20 161.26 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 72.109999999999999 110.851 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.871 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.35 171.82 13.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 73.140000000000001 110.908 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 98' ' ' VAL . 65.0 t -144.39 -101.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 45.039999999999999 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 169.22 139.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.150000000000006 111.179 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -87.45 42.84 3.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 60.030000000000001 112.468 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.68 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.38 12.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.308 . . . . 73.219999999999999 111.108 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.445 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -122.18 116.89 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 110.887 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -92.86 13.77 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 71.150000000000006 110.934 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.95 -3.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.310000000000002 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.22 -30.92 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.030000000000001 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 10.0 tp -61.64 -72.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 60.109999999999999 110.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.771 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.73 -34.91 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 42.43 110.913 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 110' ' ' VAL . 6.6 t-20 -66.02 -29.34 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.549999999999997 110.865 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.606 HG23 ' CE1' ' A' ' 112' ' ' HIS . 16.4 m -84.23 -44.49 13.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.530000000000001 111.147 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.1 mp -58.6 -25.89 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.4 m -79.28 -29.09 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.510000000000005 111.159 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 117' ' ' ALA . 2.0 ptmt -81.25 -27.68 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 51.25 110.867 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.624 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.6 m170 -101.73 -47.46 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.120000000000005 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -94.7 -30.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.129 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.03 -10.15 86.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 42.5 112.48 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.22 41.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 73.319999999999993 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -162.42 -34.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.439999999999998 111.131 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.734 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 52.43 175.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 62.119999999999997 111.116 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -129.77 -51.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.439999999999998 111.094 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 t -149.84 163.26 38.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 51.420000000000002 110.909 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.19 139.83 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.53 88.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 64.519999999999996 110.901 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.010000000000005 111.06 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.935 0.398 . . . . 63.52 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.27 31.35 3.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 44.43 112.468 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -109.83 -178.45 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 74.14 111.118 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 28.4 m -52.95 95.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.11 111.16 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.0 mm -43.39 168.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -138.73 60.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -47.48 159.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 37.0 m80 -165.26 36.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.3 p-10 -178.77 26.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 42.55 110.873 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.663 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.9 -69.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.904 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.61 -46.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.87 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -39.71 66.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.883 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.31 -39.83 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 55.24 110.891 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.574 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.51 -40.6 80.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 64.22 110.871 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.87 -22.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 42.32 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LYS . 17.6 mp0 -105.24 -54.34 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 62.51 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -46.31 -25.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.1 110.888 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.07 -25.21 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 71.31 111.106 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.5 mttm -82.86 22.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.23 110.883 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.08 -45.74 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.42 111.078 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -42.14 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -86.89 -39.41 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 64.03 110.872 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -64.34 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.33 111.078 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 36.26 7.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 54.02 112.432 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.5 ptpt -136.32 157.37 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 65.13 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.31 163.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.118 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.594 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -113.36 143.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.13 111.126 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.878 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.3 mp -141.32 97.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 60.14 111.128 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -99.05 128.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 71.22 111.111 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 4.3 t0 -101.85 89.06 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.828 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.634 ' C ' HG22 ' A' ' 36' ' ' THR . 32.3 m-85 -61.73 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 55.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.859 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.12 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.804 0.335 . . . . 71.42 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.6 -43.12 85.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.35 110.871 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.09 8.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 63.53 111.115 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.669 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -55.94 -55.2 43.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 70.44 111.091 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.669 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.74 4.23 2.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 62.24 112.372 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.8 t -98.78 -49.08 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 63.54 111.092 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.7 m-30 -63.16 -71.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 54.34 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.03 -48.98 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 64.01 111.079 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -63.25 -31.45 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 75.42 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -70.83 -44.99 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.911 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.18 -43.42 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 63.23 111.087 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.924 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.3 mtpp -78.65 -42.06 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 75.41 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 6.8 mtmt -54.01 -27.42 31.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 64.35 110.872 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.2 m-85 -115.27 90.3 23.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.21 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.56 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 72.45 112.348 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.802 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.43 20.07 43.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 33.43 112.485 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.902 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.51 164.64 34.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 32.33 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HD2' ' A' ' 29' ' ' LYS . 30.7 m -97.38 -36.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 61.02 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.902 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.0 m-85 58.31 152.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.85 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.936 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 170.48 149.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.96 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.665 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.1 133.36 53.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 62.14 110.889 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -127.92 167.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 53.24 111.118 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.3 t0 -113.77 122.3 46.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.836 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 36' ' ' THR . 6.2 m -82.56 34.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.138 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 -18.36 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.886 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -118.68 -32.56 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.61 23.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.67 -34.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.949 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -36.13 -28.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 70.34 110.873 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 70' ' ' LEU . 28.4 t -78.16 -44.79 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.14 111.104 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.534 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -68.31 -33.18 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.111 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.06 -23.36 66.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 70.32 110.854 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -80.22 -32.62 38.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.53 110.895 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.552 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-85 -96.35 -16.0 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.887 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.478 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.544 0.688 . . . . 74.21 110.903 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.5 Cg_endo -69.82 36.31 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.641 2.227 . . . . 65.41 112.331 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.621 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -58.88 120.28 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.118 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -81.78 40.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.12 142.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 64.13 110.946 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.2 m-85 -118.62 155.01 31.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.907 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -139.34 74.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.1 111.144 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.725 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 11.3 ttmt -76.68 123.55 26.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.01 110.874 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 1.9 t70 81.49 -6.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.35 110.871 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.97 43.2 3.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 75.33 112.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.67 -86.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 42.14 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -177.6 103.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 70.11 110.913 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.48 -33.92 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 51.21 111.12 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.18 179.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.86 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -133.38 170.1 15.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 71.21 110.937 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 34.3 t -141.44 -95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.41 111.135 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 159.32 144.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.01 111.124 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -91.9 49.23 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 63.11 112.47 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.537 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.5 14.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 74.02 111.112 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 7.8 mpt_? -127.0 110.43 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.838 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -83.06 7.2 16.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 62.4 110.91 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -126.59 -8.21 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.851 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.74 -18.86 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.4 tp -78.72 -75.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.23 110.951 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.773 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.86 -18.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.3 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.707 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.9 t30 -80.24 -33.75 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.88 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.514 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -81.6 -40.54 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.146 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -60.86 -26.44 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.43 111.151 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.5 m -78.24 -29.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.4 111.153 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.441 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.39 -27.9 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.919 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.79 ' HB3' HG21 ' A' ' 30' ' ' VAL . 23.7 m-70 -101.29 -47.9 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.827 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.802 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -93.99 -31.45 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 50.51 111.112 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.52 72.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.525 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 63.45 111.054 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.905 0.383 . . . . 73.35 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 27.51 4.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 71.51 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -107.43 178.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 75.21 111.131 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 51' ' ' ALA . 32.6 m -50.89 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.35 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 10' ' ' ALA . 22.6 mm -42.36 167.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.145 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -140.73 79.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 61.11 111.104 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 26.3 p -68.29 177.42 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.896 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 27.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.14 110.851 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -174.8 27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.898 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.83 ' H ' HD13 ' A' ' 70' ' ' LEU . 3.6 ttmt 66.59 -67.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.894 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -27.32 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.891 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -81.75 -44.13 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.895 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.91 -35.78 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.882 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.607 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.3 -45.46 69.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.852 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.93 -23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.08 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.445 ' NE2' HG13 ' A' ' 9' ' ' ILE . 2.0 mp0 -104.85 -51.08 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.864 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.95 -31.08 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.917 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -92.13 -19.89 21.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 64.12 111.18 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.84 23.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.882 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.5 -51.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 65.52 111.037 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -60.03 -51.0 71.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.851 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.7 -44.96 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.924 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.588 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.7 -26.63 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 62.3 111.105 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.65 34.18 16.83 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.695 -0.764 . . . . 33.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -127.2 161.18 29.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 71.21 110.904 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -74.02 161.4 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.42 111.132 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 53.1 t -116.48 150.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.41 94.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 73.1 111.102 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.833 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -95.65 127.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.111 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.76 93.62 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.851 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.605 ' C ' HG22 ' A' ' 36' ' ' THR . 31.4 m-85 -64.65 -167.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.01 110.838 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 64.5 111.201 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.836 0.351 . . . . 74.55 110.811 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -68.24 -42.3 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 65.23 110.927 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.0 tt -104.02 10.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 71.52 111.121 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.49 -54.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 55.14 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 3.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.2 112.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.655 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.3 t -98.24 -48.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.0 m-30 -63.98 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 53.44 110.865 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.848 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -43.89 -49.29 8.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 65.22 111.077 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -62.71 -33.44 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.857 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.655 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-30 -69.16 -44.8 71.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.913 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.82 -43.03 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 63.43 111.128 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.981 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.0 mtpp -78.96 -42.96 25.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -54.15 -25.29 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.86 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 14.3 m-85 -117.73 89.07 32.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 74.52 110.866 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.07 17.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 63.41 112.344 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.76 19.81 42.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 74.53 112.517 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.903 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.88 168.1 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.01 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.651 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.1 m -101.16 -34.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 52.31 111.113 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.903 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 55.93 161.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 60.34 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.833 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.22 147.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.692 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -116.26 132.29 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.909 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.812 ' CG2' HD21 ' A' ' 70' ' ' LEU . 14.7 p -121.97 161.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 61.21 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 t0 -116.26 113.02 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.86 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.6 m -78.63 39.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.32 111.153 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.92 -21.62 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.851 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -115.64 -35.31 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.937 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.83 HD13 ' H ' ' A' ' 14' ' ' LYS . 1.9 pt? -126.99 24.83 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 70.03 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.93 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 pt-20 -33.56 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -74.51 -47.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 65.31 111.107 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.8 -24.52 66.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 70.44 111.099 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.84 -19.43 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -86.67 -29.18 22.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.23 110.86 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.7 m-30 -98.71 -14.99 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.45 110.916 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.909 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.54 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.572 0.701 . . . . 72.13 110.881 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.79 21.3 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.32 112.371 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -46.11 128.76 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 65.03 111.138 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -89.1 43.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.892 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.58 140.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 27.7 m-85 -120.33 143.68 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.862 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.764 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -128.7 82.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 62.41 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.917 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -83.89 122.56 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.904 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.8 t70 82.4 -10.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 70.3 110.848 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.23 48.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -153.0 -85.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 33.42 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -176.34 107.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.875 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.95 -32.51 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 54.12 111.102 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.0 m-20 157.83 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 71.13 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.87 -176.05 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.832 HG12 ' N ' ' A' ' 98' ' ' VAL . 30.2 t -155.88 -94.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 62.14 111.116 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.832 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 160.04 133.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.069 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -85.71 45.91 3.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 74.2 112.463 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.538 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.48 18.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 74.45 111.102 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -128.58 115.35 17.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 65.34 110.894 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 8.84 20.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.882 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.425 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 30.3 t70 -124.83 -10.96 7.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.872 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.487 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -107.02 -21.7 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.914 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 109' ' ' ILE . 30.3 tp -77.41 -76.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.79 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.38 -20.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.1 110.93 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.98 -34.47 33.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.874 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 97' ' ' VAL . 20.8 m -80.1 -41.07 26.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 71.12 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.16 -26.78 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.5 m -78.84 -28.69 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 45.43 111.148 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.443 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -81.3 -28.6 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 65.23 110.9 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.758 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.1 m-70 -100.97 -45.0 5.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -97.0 -30.38 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.43 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.46 -11.64 68.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 54.22 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 73.22 111.106 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.845 0.355 . . . . 60.44 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.3 26.91 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.41 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 175.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 70.21 111.119 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.5 m -50.34 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.55 111.103 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.619 HG22 ' N ' ' A' ' 10' ' ' ALA . 21.4 mm -46.2 167.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 62.51 111.153 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.23 83.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.11 111.125 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 23.3 p -67.37 179.42 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.866 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 17.6 m-70 -177.15 37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 176.57 24.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.89 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 66.88 -67.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.873 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -27.95 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.874 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -80.12 -44.44 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.862 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.11 -35.82 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.865 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 2.3 m-20 -73.2 -33.72 65.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.24 -22.62 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.18 -51.7 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.36 -19.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 61.15 110.878 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.11 -19.09 15.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 62.41 111.202 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.42 19.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 71.03 110.898 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.672 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.26 -45.78 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.12 111.132 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -62.69 -48.63 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.22 -47.37 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.868 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -64.19 -27.48 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 64.41 111.11 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.4 35.73 11.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 60.14 112.516 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.789 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -128.0 158.29 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 71.45 110.925 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -70.13 161.94 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.144 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.672 HG23 ' CB ' ' A' ' 24' ' ' ALA . 19.9 t -116.9 149.03 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 65.31 111.142 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.26 95.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.54 111.152 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -94.98 129.78 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.4 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.31 92.81 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.855 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 43.4 m-85 -65.97 -167.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.933 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.145 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.836 0.35 . . . . 71.13 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -69.93 -42.35 73.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 71.41 110.885 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.784 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 tt -105.92 10.95 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.31 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.79 -55.79 41.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 61.54 111.107 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.75 4.98 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 72.21 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.707 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 11.4 t -99.2 -48.66 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.7 m-30 -63.66 -72.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.862 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.1 -48.86 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.115 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.54 -33.41 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.916 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.707 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.8 m-30 -69.2 -46.01 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 73.04 110.923 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.81 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.77 -44.06 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 53.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.89 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.0 mtpp -77.13 -43.21 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.6 mtmt -54.7 -25.52 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.6 m-85 -117.08 87.75 24.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.74 . . . . 72.14 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.91 14.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 60.24 112.403 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.76 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 18.84 51.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 70.24 112.497 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.851 ' HB1' ' CD1' ' A' ' 32' ' ' ILE . . . -145.31 171.31 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 74.13 111.129 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.789 HG12 ' HD3' ' A' ' 29' ' ' LYS . 10.6 m -104.02 -34.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.01 111.129 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.1 m-85 55.96 160.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.92 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.77 147.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.921 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.21 135.88 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.909 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.2 165.66 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.53 111.148 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 t0 -114.58 115.73 27.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 60.13 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 36' ' ' THR . 4.3 m -80.13 38.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 53.45 111.072 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -128.93 -22.29 3.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.852 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.509 ' OE2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.82 -33.0 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.891 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -128.41 20.73 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.885 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.892 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.5 pt-20 -34.33 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 71' ' ' LYS . 76.4 t -76.36 -46.74 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 64.35 111.087 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -64.58 -33.06 75.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 51.24 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.98 -24.5 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 61.33 110.911 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.44 -31.61 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.885 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.9 m-85 -98.51 -14.72 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.897 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.929 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.526 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.618 0.723 . . . . 64.3 110.859 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 54.1 Cg_endo -69.76 22.66 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.234 . . . . 53.34 112.41 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.1 128.24 5.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.193 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.645 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -88.71 40.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.14 110.911 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.51 142.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.52 110.899 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 19.9 m-85 -120.02 152.78 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.1 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 4.8 mm -137.71 77.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.14 111.16 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttpt -78.56 123.73 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.12 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.1 t0 81.61 -12.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.89 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.0 44.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.25 112.524 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.73 -87.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 45.34 111.131 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -175.72 107.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 54.32 110.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -90.85 -32.52 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 62.32 111.129 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.69 178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.853 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.21 174.47 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.874 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 98' ' ' VAL . 50.1 t -146.53 -98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.13 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 166.92 135.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 63.0 111.099 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.23 43.42 3.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 63.31 112.512 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.33 14.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.318 . . . . 72.34 111.084 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -123.46 113.0 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 61.43 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.417 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.4 4.65 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 110.911 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 14.4 t70 -125.92 -7.9 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.891 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -108.82 -18.46 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.865 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 50' ' ' PHE . 35.0 tp -80.34 -75.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.949 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.739 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.85 -19.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.32 110.916 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -79.46 -34.55 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.15 110.881 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 87' ' ' PHE . 2.6 m -80.52 -38.05 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.23 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -63.34 -26.27 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 63.41 111.077 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.0 m -79.13 -30.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.082 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.444 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -79.09 -28.2 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.873 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.787 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.8 m-70 -101.51 -47.2 4.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 72.23 110.816 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.6 t -94.51 -30.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.24 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.68 -17.72 74.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 52.11 112.446 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 50.45 111.103 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 73.21 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.57 30.5 4.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.521 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.944 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.4 m -110.04 -179.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 71.32 111.132 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.829 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 26.9 m -51.8 95.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 43.22 111.146 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 10' ' ' ALA . 30.2 mm -42.06 165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.138 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.624 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -135.94 60.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.03 111.123 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.529 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 160.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 72.45 110.842 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -167.1 35.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.84 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.572 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.1 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.51 110.914 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.584 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.62 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.907 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.34 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 61.44 110.899 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -81.19 -42.64 20.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.86 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.38 -39.38 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.853 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.6 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -68.74 -39.27 80.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.88 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.04 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ASP . 1.2 mp0 -107.22 -52.15 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.86 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.57 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.97 -25.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.15 110.861 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.64 -23.13 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 65.45 111.122 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.2 mttm -84.19 27.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.829 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.89 -45.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.898 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.14 -39.9 15.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 71.44 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 -30.28 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.21 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.48 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 42.52 112.536 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -133.24 158.99 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 65.3 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.774 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -71.36 160.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 65.12 111.141 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.2 t -113.0 146.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.111 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.87 96.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.18 127.53 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.55 111.167 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t70 -102.43 84.69 2.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' C ' HG22 ' A' ' 36' ' ' THR . 29.6 m-85 -56.22 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.919 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.34 111.096 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.915 0.388 . . . . 64.53 110.888 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CG ' ' A' ' 44' ' ' ARG . 81.6 t80 -56.27 -42.4 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.843 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.29 10.97 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.118 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.21 -54.8 50.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 73.12 111.088 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.78 4.82 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 75.43 112.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.5 t -99.55 -48.46 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.25 111.069 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.23 -71.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.86 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -49.27 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.11 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.15 -32.68 73.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.35 110.875 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -69.91 -45.91 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.907 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.88 -43.8 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 52.03 111.066 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.4 mtpp -78.32 -42.24 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.8 mtmt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.906 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.9 m-85 -110.45 89.1 8.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 72.43 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.8 10.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 73.14 112.345 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.762 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.01 19.11 54.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 45.42 112.514 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.37 163.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 24.45 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 28.2 m -95.55 -37.37 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 65.24 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.925 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.9 m-85 58.93 150.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.6 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 175.4 151.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.48 127.69 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.89 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -123.81 166.56 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.04 111.138 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.804 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.8 t0 -110.45 120.6 42.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 74' ' ' ALA . 21.9 m -82.58 34.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.079 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.86 -19.26 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 54.43 110.848 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.554 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 8.8 pt-20 -117.06 -33.09 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.25 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.938 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.3 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.879 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.5 pm0 -35.88 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 74.11 110.917 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 17' ' ' PHE . 57.7 t -79.75 -44.97 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 62.45 111.091 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -69.15 -35.28 76.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 45.54 111.125 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.72 -26.57 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.3 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.66 -34.03 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.874 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.5 m-85 -93.52 -13.12 28.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.927 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.3 110.874 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.537 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.514 0.673 . . . . 75.34 110.9 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.71 21.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.721 2.281 . . . . 62.23 112.346 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.77 128.75 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 64.03 111.155 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -86.35 38.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.7 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.55 143.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.921 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -120.75 157.21 30.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.04 110.836 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.799 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -142.03 75.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.14 111.118 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttpt -77.34 122.01 24.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.903 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 83.69 -13.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.887 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.55 42.94 1.92 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 74.34 112.504 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.68 -88.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.31 . . . . 54.21 111.086 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.43 104.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.2 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.91 -33.48 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 45.22 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.05 179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.682 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.47 171.78 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.796 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.5 t -142.83 -95.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 75.22 111.118 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.796 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.17 131.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.01 111.17 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.08 43.68 2.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 71.21 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.573 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.37 14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 74.22 111.069 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.3 mpt_? -124.65 113.86 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.23 110.878 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.81 11.96 16.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.925 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.87 -4.21 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 52.24 110.855 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -112.63 -34.92 5.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 62.03 110.904 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.577 HD22 ' CE1' ' A' ' 50' ' ' PHE . 12.8 tp -60.75 -70.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.946 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.829 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -51.76 -22.75 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.891 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.0 OUTLIER -75.92 -30.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.43 110.91 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 1.5 m -84.43 -40.72 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 73.31 111.145 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.72 -24.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.01 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.1 m -79.6 -28.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.452 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 1.3 ptmt -81.7 -28.22 33.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.89 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.774 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.4 m-70 -100.37 -48.51 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.856 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 59' ' ' GLY . 4.1 t -94.24 -30.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -77.97 -9.29 87.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 60.11 112.479 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 61.24 111.103 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.873 0.368 . . . . 73.02 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.3 24.53 3.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 74.23 112.497 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.935 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -108.44 177.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 73.24 111.131 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 51' ' ' ALA . 24.9 m -51.41 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 52.21 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.653 HG22 ' N ' ' A' ' 10' ' ' ALA . 35.7 mm -42.99 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.15 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.653 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.36 58.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.078 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.575 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.89 162.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.42 110.882 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.539 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 9.1 p80 -169.62 33.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.875 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.0 p-10 -174.75 25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 53.1 110.852 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.93 -70.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.917 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -28.99 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.875 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.3 mt-10 -79.54 -43.56 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.827 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.07 -39.45 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.851 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -66.86 -45.0 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.49 -24.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.098 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.9 mp0 -101.13 -57.61 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.907 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.592 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.67 -21.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.906 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -95.61 -26.91 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.14 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.1 mttt -82.5 22.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.24 110.899 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -120.96 -46.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.34 111.077 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -38.57 86.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 73.24 110.874 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -89.28 -41.53 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.882 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.23 35.6 6.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 63.15 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.3 ptpt -136.48 155.17 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 62.41 110.865 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.18 163.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.15 111.152 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.609 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -114.37 146.67 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 63.25 111.114 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.852 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.5 96.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.092 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.26 126.77 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 44.04 111.145 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t0 -100.28 91.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.857 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 74' ' ' ALA . 12.5 m-85 -61.92 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 64.54 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.854 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 44.31 111.158 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.804 0.335 . . . . 74.1 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.8 -42.82 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.04 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -103.53 11.17 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.079 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.23 -54.26 56.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 72.22 111.132 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 53.31 112.344 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.609 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.5 t -99.29 -48.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 55.22 111.158 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.1 m-30 -63.79 -71.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 65.44 110.903 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.07 -48.96 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 71.55 111.12 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.3 pt-20 -62.88 -33.04 74.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.914 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.7 m-30 -69.52 -46.46 66.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.11 -44.15 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 61.43 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.935 ' HD2' HG12 ' A' ' 7' ' ' VAL . 10.4 mtpp -76.43 -39.67 52.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.853 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -58.67 -26.86 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.901 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.5 m-85 -114.66 88.44 16.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 72.02 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.57 14.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 72.05 112.346 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.799 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.37 19.02 49.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 71.52 112.516 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.885 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.31 165.37 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 32.05 111.08 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.536 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.6 m -97.87 -35.03 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.159 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.885 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.1 158.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.092 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 165.58 148.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 61.54 110.908 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.56 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.38 131.78 53.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.898 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.84 166.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.1 111.106 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.795 ' O ' HD23 ' A' ' 70' ' ' LEU . 21.3 t0 -111.28 123.03 49.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.888 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 36' ' ' THR . 3.2 m -82.43 33.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.43 111.091 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -126.48 -17.01 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.878 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE2' ' HB2' ' A' ' 12' ' ' HIS . 12.3 pt-20 -116.03 -33.57 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.876 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.99 23.14 5.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.923 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.7 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 70.43 110.908 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -34.23 -30.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 61.12 110.891 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 71' ' ' LYS . 48.1 t -81.28 -46.66 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.25 111.102 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.96 -27.51 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.064 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.9 -32.95 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 72.54 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.528 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -73.87 -31.06 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 23.0 m-85 -98.69 1.46 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.908 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.4 t-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.34 110.875 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.487 ' CG ' ' H ' ' A' ' 84' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.603 0.716 . . . . 72.41 110.88 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.74 18.46 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.681 2.254 . . . . 75.32 112.369 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -43.33 120.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 70.21 111.158 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.68 40.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.857 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -30.62 141.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 62.02 110.917 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.631 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.9 m-85 -120.09 154.48 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.852 HG12 HD11 ' A' ' 33' ' ' ILE . 3.7 mm -139.06 79.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 52.41 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -81.77 122.65 27.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.879 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.5 t0 82.92 -12.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.74 47.39 1.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 64.21 112.485 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.87 -89.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 55.02 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -172.36 103.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.87 -32.76 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 33.15 111.115 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 157.11 179.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.502 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.77 173.85 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 74.25 110.901 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.7 t -144.0 -97.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.42 111.106 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.48 125.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 60.15 111.123 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.8 49.13 2.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 63.02 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -153.01 11.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 52.03 111.101 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -123.59 110.87 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.53 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.48 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -80.64 1.0 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.925 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.459 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 21.1 t70 -123.84 -7.1 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.844 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -107.32 -18.38 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.2 tp -78.88 -74.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.783 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.63 -17.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 62.53 110.903 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.24 -34.0 37.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.92 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.547 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -82.07 -37.22 26.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.21 111.137 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -64.42 -25.92 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.2 111.167 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.1 m -78.27 -29.92 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.01 111.152 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -79.7 -28.59 40.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.876 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.777 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.2 m-70 -100.77 -47.84 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.848 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.6 t -94.22 -30.71 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.25 111.157 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.23 -11.16 85.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 73.53 112.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 53.12 111.102 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.898 0.38 . . . . 61.13 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.49 21.1 7.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 71.44 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.942 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.5 m -104.62 -179.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 45.45 111.166 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.4 m -52.35 95.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 72.32 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' N ' ' A' ' 10' ' ' ALA . 42.7 mm -42.08 165.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.635 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.06 74.76 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.41 111.138 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -58.34 161.72 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 54.41 110.892 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -166.97 34.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.848 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.565 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.92 27.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.22 110.928 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.686 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.3 -69.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.843 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.32 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 74.33 110.881 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -80.44 -42.77 22.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.892 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.56 -48.67 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.914 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -64.15 -43.92 93.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 64.43 110.87 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.14 -36.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 34.22 111.073 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' OE1' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.47 -53.15 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.93 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.468 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.29 -33.84 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.889 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -77.03 -27.5 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 65.43 111.106 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -80.04 24.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.85 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.683 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.22 -52.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.03 111.129 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -44.0 97.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 22' ' ' THR . 1.1 pt-20 -86.38 -40.1 15.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.09 -32.54 73.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.081 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.81 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 53.12 112.475 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.7 ptpt -138.51 155.85 48.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 70.42 110.915 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.852 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.8 OUTLIER -66.81 163.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 60.44 111.113 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.683 HG23 ' CB ' ' A' ' 24' ' ' ALA . 14.8 t -114.25 146.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.34 111.135 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.886 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -142.61 96.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.21 111.112 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.832 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.05 126.68 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 64.02 111.148 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -103.47 86.08 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.847 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.589 ' C ' HG22 ' A' ' 36' ' ' THR . 39.0 m-85 -58.44 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 63.54 111.164 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.832 0.349 . . . . 73.43 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -81.13 -40.99 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -106.1 9.78 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.167 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.51 -55.65 40.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 74.05 111.142 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.67 4.44 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.749 2.3 . . . . 74.23 112.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 10.0 t -99.1 -49.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 52.13 111.142 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -62.67 -71.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.9 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.82 -49.38 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.15 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.87 -31.56 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 64.14 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.646 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-30 -70.7 -45.88 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.912 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.58 -43.74 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 75.13 111.074 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.942 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.8 mtpp -77.19 -41.67 40.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.88 -30.25 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.872 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.8 m-85 -111.78 88.05 9.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 74.31 110.87 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 61.44 112.301 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -100.6 21.02 45.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 22.05 112.486 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.8 162.86 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 54.25 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.519 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.2 m -92.34 -37.19 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.111 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.92 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 86.0 m-85 58.11 153.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.06 148.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.15 110.889 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.41 133.66 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.918 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HD21 ' A' ' 70' ' ' LEU . 91.0 t -116.21 161.71 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.03 111.125 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.738 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -118.1 112.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.55 110.867 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.755 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.0 m -80.57 34.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 71.03 111.16 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -130.51 -6.08 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.871 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 10.4 pt-20 -131.6 -34.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 71.11 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 65' ' ' VAL . 1.8 pt? -130.17 23.93 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.9 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.87 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.9 pt-20 -34.77 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 64.21 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 69.0 t -77.85 -47.76 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.23 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -62.47 -33.92 75.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.136 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -24.65 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -79.01 -30.91 44.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 21.9 m-85 -97.76 -17.83 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 54.21 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 9.1 t-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.895 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.534 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.572 0.701 . . . . 63.42 110.859 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.81 22.44 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 45.35 112.355 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -44.43 125.41 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 74.05 111.114 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -84.45 40.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.885 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.12 143.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.88 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 16.9 m-85 -120.66 159.1 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.881 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.832 HG12 HD11 ' A' ' 33' ' ' ILE . 4.6 mm -144.02 75.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.117 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -77.09 121.25 23.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.912 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.5 t70 84.05 -12.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.05 41.63 2.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 64.24 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.86 -88.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 65.12 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.85 105.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.82 -33.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.25 111.094 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.5 m-20 158.71 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.861 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.06 -178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.862 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.3 t -153.04 -96.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.126 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.807 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.65 131.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.14 111.127 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.8 43.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 33.02 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.562 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -148.62 11.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 42.31 111.097 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 2.0 mpt_? -124.75 114.63 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.862 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.89 3.92 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.902 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.437 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 23.1 t0 -123.14 -7.22 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.845 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.839 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.6 tp -79.47 -74.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.05 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.821 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.13 -18.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.912 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.654 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.7 t30 -79.79 -32.17 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 60.23 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.609 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.0 m -84.09 -38.28 20.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 63.12 111.124 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.588 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -63.62 -25.12 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.113 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.74 -29.77 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.54 111.152 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -80.57 -28.16 37.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.89 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.852 ' HB3' HG21 ' A' ' 30' ' ' VAL . 25.1 m-70 -100.85 -47.8 4.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.848 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.3 t -94.79 -29.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -80.12 -9.4 86.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 74.14 112.481 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 72.44 111.049 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.851 0.357 . . . . 71.41 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.09 30.94 3.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 32.41 112.496 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -110.27 177.27 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 71.22 111.166 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.84 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.4 m -49.47 95.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.098 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 10' ' ' ALA . 24.0 mm -43.01 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 71.02 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.636 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.52 62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 73.15 111.113 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -52.73 162.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.903 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.533 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 17.2 p80 -169.62 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.561 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.83 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.91 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 65.69 -68.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.868 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -30.96 -37.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.876 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -83.66 -42.46 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.889 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.92 -44.95 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.876 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.95 -39.41 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 52.23 110.886 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.484 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -45.28 -21.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.43 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -105.58 -55.37 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.894 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.524 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.3 -24.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 62.53 110.905 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -90.56 -26.07 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 52.35 111.132 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 4.2 mttm -82.87 19.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.858 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -119.98 -47.23 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.41 111.091 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -48.8 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 72.54 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.97 -45.42 50.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.86 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -62.26 -28.25 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.24 111.106 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.22 13.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.57 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -125.36 166.61 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 62.1 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -79.55 159.38 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 71.13 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' HG13 ' A' ' 30' ' ' VAL . 37.5 t -112.51 148.01 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 75.33 111.132 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.11 95.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.856 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -96.07 123.8 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 65.51 111.09 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 85' ' ' PHE . 3.0 m-20 -100.44 95.26 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 65.41 110.838 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 67' ' ' VAL . 45.6 m-85 -68.15 -170.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 64.13 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' A' ' 35' ' ' PHE . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 54.11 111.128 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.839 0.352 . . . . 73.43 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.41 -42.93 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -104.94 9.71 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.163 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.44 -55.37 43.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 70.55 111.111 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.82 4.48 2.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 31.23 112.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.2 t -99.31 -48.09 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.16 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.782 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.1 m-30 -64.49 -71.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.79 -49.33 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.35 111.12 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -62.51 -32.27 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.899 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -71.4 -44.86 64.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.915 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.28 -43.27 3.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.079 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.17 -40.68 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.11 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.1 mtmt -56.2 -28.34 57.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 61.34 110.901 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 12.6 m-85 -114.96 89.58 20.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 64.34 110.898 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.9 29.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 71.22 112.372 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.798 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -84.78 19.53 20.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.438 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.89 166.29 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 72.43 111.123 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' HD3' ' A' ' 29' ' ' LYS . 32.4 m -96.93 -38.47 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 63.32 111.096 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.904 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.9 m-85 59.23 146.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 73.04 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.856 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 174.33 146.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.909 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.51 134.22 55.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.903 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -135.22 162.45 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 74.24 111.117 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.3 t70 -107.08 127.92 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.888 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.702 HG12 ' CD1' ' A' ' 35' ' ' PHE . 2.9 m -84.25 29.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.16 -20.42 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.854 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -111.84 -35.21 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -127.3 24.13 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 60.12 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.05 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.866 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.5 pt-20 -35.68 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.878 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' LYS . 74.4 t -82.26 -44.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 55.44 111.108 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -67.23 -31.6 72.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.087 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.78 -21.88 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 71.41 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.98 -32.03 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 62.31 110.852 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.8 m-85 -95.82 -20.57 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 64.42 110.911 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 61.33 110.886 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.534 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.617 0.722 . . . . 53.12 110.837 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.8 21.54 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 54.15 112.361 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -48.18 128.55 14.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 43.15 111.122 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -88.43 41.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 61.2 110.878 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.29 137.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -116.17 152.99 32.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.772 HG12 HD11 ' A' ' 33' ' ' ILE . 4.1 mm -138.67 80.07 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 62.34 111.137 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.4 ttpt -80.53 122.07 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.894 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.7 t70 81.91 -7.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 71.14 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.33 42.97 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 30.4 112.496 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -144.73 -87.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 75.24 111.098 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -175.1 105.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 74.24 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.49 -34.02 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.31 111.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.0 m-20 157.09 179.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.805 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.61 -179.73 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.883 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.874 HG12 ' N ' ' A' ' 98' ' ' VAL . 13.1 t -151.94 -92.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.151 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.874 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.16 134.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 61.24 111.155 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -86.96 42.18 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 63.13 112.474 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.37 15.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 61.22 111.108 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 98' ' ' VAL . 5.1 mpt_? -123.48 114.06 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 73.13 110.884 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.53 12.18 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.24 110.864 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -5.62 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.873 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.73 -30.41 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 50' ' ' PHE . 15.3 tp -65.27 -76.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 70.11 110.907 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.725 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.08 -35.2 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.937 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 t30 -63.12 -33.72 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.12 110.838 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.46 HG23 ' CD2' ' A' ' 112' ' ' HIS . 6.1 m -80.9 -47.0 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.21 111.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 105' ' ' LEU . 2.2 mp -53.71 -27.97 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.51 111.109 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 107' ' ' ASN . 29.1 m -78.32 -27.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 51.4 111.082 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.441 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -82.53 -27.6 31.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.928 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.677 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.8 m-70 -102.46 -47.52 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.882 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.65 -30.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.72 -10.59 86.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 44.54 112.476 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 51.14 111.116 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.903 0.383 . . . . 63.31 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.05 29.33 3.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 44.15 112.457 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.67 176.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 74.53 111.137 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.1 m -50.42 95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.15 111.097 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.707 ' HB ' HD12 ' A' ' 63' ' ' LEU . 25.5 mm -43.0 167.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 73.54 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.631 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -139.6 74.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.111 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.29 175.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.889 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.469 ' C ' ' OE2' ' A' ' 69' ' ' GLU . 18.6 t-80 -179.42 30.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.562 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 177.14 26.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.878 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.93 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.861 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -31.47 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.879 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.06 -43.9 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 55.4 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -51.46 -43.81 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.55 110.896 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.487 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.3 m-20 -68.62 -34.44 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -46.37 -20.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 54.41 111.111 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' CD ' HG13 ' A' ' 9' ' ' ILE . 1.4 mp0 -104.68 -51.86 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.23 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.426 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.35 -21.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.817 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.63 -23.88 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 72.23 111.15 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.8 mttt -83.54 20.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.919 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.51 -44.27 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.55 111.089 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.27 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 61.12 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.91 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.867 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -63.72 -27.75 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.11 32.18 18.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 53.43 112.504 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.684 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -125.32 165.07 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 64.33 110.899 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -78.25 161.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 72.02 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.582 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 44.1 t -113.54 148.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.11 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.871 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.23 95.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.04 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.079 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -95.73 129.57 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.114 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -105.44 92.19 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.889 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 29.4 m-85 -62.87 -164.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.869 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.85 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 73.52 111.132 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.848 0.356 . . . . 71.02 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.83 -48.24 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.853 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.758 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -102.09 10.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 73.14 111.089 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.36 -54.2 57.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 72.22 111.102 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.72 3.73 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 52.22 112.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -98.81 -48.46 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 43.41 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -63.38 -70.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.864 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.51 -48.99 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.21 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.1 pt-20 -63.43 -30.52 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 74.51 110.883 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.0 m-30 -72.25 -45.57 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 71.05 110.955 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.36 -42.51 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 62.22 111.107 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.907 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.4 mtpp -77.66 -41.07 39.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.02 110.907 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -53.77 -32.09 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.9 m-85 -111.51 89.72 11.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 71.3 110.88 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.07 13.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.635 2.223 . . . . 71.03 112.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.814 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -93.2 21.67 38.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 72.42 112.469 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.918 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.61 165.73 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.12 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.684 HG12 ' HD3' ' A' ' 29' ' ' LYS . 13.1 m -97.61 -35.05 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.12 111.138 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.918 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.7 m-85 56.99 158.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.079 HD23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 169.48 150.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.21 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.76 122.66 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 75.34 110.898 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.738 HG13 HD21 ' A' ' 70' ' ' LEU . 85.5 t -107.37 161.4 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.104 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.868 ' O ' HD23 ' A' ' 70' ' ' LEU . 8.9 t0 -121.92 102.96 8.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 55.24 110.865 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 36' ' ' THR . 3.4 m -74.72 43.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.34 111.094 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.56 -20.01 2.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.858 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.66 -29.69 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.87 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.37 21.65 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.908 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.78 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.903 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.2 pt-20 -34.46 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 71' ' ' LYS . 53.9 t -76.2 -48.7 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 51.54 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.514 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -60.52 -32.07 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.107 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.15 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.887 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -74.56 -34.95 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.883 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.692 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.6 m-85 -94.51 -12.69 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.04 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 74.13 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.562 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.571 0.701 . . . . 75.31 110.874 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.73 20.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 71.41 112.363 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.562 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -47.33 126.69 9.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.01 111.186 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.643 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -85.63 41.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.901 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.695 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -31.48 144.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.881 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.0 m-85 -121.42 157.07 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.908 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 33' ' ' ILE . 4.5 mm -142.54 77.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.156 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 4.5 ttpt -79.98 121.84 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t70 83.46 -12.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.869 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.75 45.02 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 42.03 112.472 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.3 -89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.321 . . . . 73.44 111.076 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -174.3 104.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.931 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.89 -34.07 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 63.4 111.068 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 157.52 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.15 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -132.79 174.03 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 60.55 110.936 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 98' ' ' VAL . 37.2 t -143.03 -94.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 74.32 111.161 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 161.21 131.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.104 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -81.75 43.78 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 61.24 112.453 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.584 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -151.62 14.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 74.44 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -126.3 116.22 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.3 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -87.12 6.37 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.907 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.447 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -126.3 -7.48 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.852 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.99 -17.53 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 52.45 110.901 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 50' ' ' PHE . 21.7 tp -81.09 -74.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.94 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.47 -18.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.45 110.906 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.6 -33.61 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.849 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.7 m -81.17 -39.54 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.102 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -62.03 -26.6 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.22 111.158 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.26 -30.65 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 70.41 111.132 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.455 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -79.01 -28.89 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.917 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.742 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.2 m-70 -100.5 -48.37 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.827 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.814 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.33 -30.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.02 -9.18 87.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.514 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 74.31 111.134 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.949 0.404 . . . . 74.14 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -83.89 29.36 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 73.43 112.497 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.929 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -111.27 179.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 71.45 111.105 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.7 m -51.63 95.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 72.52 111.143 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.628 HG22 ' N ' ' A' ' 10' ' ' ALA . 18.9 mm -42.77 168.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 55.02 111.123 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.03 56.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.132 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -43.43 160.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 52.33 110.874 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -168.36 38.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.859 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 176.85 28.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.671 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.48 -69.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.88 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.45 -38.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.892 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.3 mt-10 -80.89 -41.34 23.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.54 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.74 ' HA ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.69 -45.12 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 64.03 110.883 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -68.11 -28.97 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -59.98 -7.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.137 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -117.67 -37.66 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.571 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.7 -16.84 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.854 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.87 -31.54 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 43.21 111.197 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -80.85 26.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.878 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -127.3 -42.37 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 61.12 111.107 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -69.94 -43.37 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.915 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.88 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.09 -29.14 69.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 33.41 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.36 30.71 13.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 53.44 112.425 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -121.7 163.86 18.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 72.31 110.907 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -77.23 160.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 65.12 111.133 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' A' ' 24' ' ' ALA . 9.9 t -114.16 147.75 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.23 111.115 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.888 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.9 mp -142.48 96.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 71.23 111.072 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.066 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -95.73 128.31 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 55.05 111.106 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.7 t70 -101.41 86.75 3.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.851 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.592 ' C ' HG22 ' A' ' 36' ' ' THR . 30.8 m-85 -61.0 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.32 111.131 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.831 0.348 . . . . 71.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.1 -42.51 93.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 52.12 110.902 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.52 11.05 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 53.42 111.087 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.08 -54.43 54.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 62.32 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 71.23 112.342 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -100.1 -48.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.12 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.5 m-30 -63.85 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.866 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.29 -48.67 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.55 111.123 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -62.76 -32.27 73.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.617 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.903 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.794 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.71 -42.45 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 61.35 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.929 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.6 mtpp -78.68 -42.71 27.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.873 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 12.2 mtmt -54.8 -25.98 31.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 61.33 110.913 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 109' ' ' ILE . 17.4 m-85 -115.45 89.36 21.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 72.41 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 64.15 112.355 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.806 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.37 23.29 32.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 51.21 112.487 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.87 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 71.35 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 33.3 m -94.67 -35.86 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.159 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.951 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.25 160.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 71.01 110.866 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.066 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.88 147.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 63.31 110.914 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.08 132.9 54.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.21 110.926 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.141 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.794 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.0 t0 -110.57 121.7 45.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.879 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 36' ' ' THR . 16.4 m -82.96 33.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.92 -19.88 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.607 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 9.0 pt-20 -115.5 -33.05 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 61.45 110.885 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.14 23.49 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 64.52 110.948 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.09 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.919 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.4 pt-20 -34.05 -31.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.5 t -76.49 -47.41 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 62.34 111.09 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.698 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 45.44 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.66 -18.44 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.917 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -86.16 -31.56 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 63.21 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.5 m-85 -96.69 -15.91 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.918 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.891 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.493 ' CE ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.576 0.703 . . . . 70.32 110.849 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.8 40.94 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 74.11 112.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -62.93 116.89 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 62.34 111.143 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.26 60.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.862 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.845 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -48.31 143.18 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 61.1 110.927 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 40.0 m-85 -120.6 141.69 50.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 51.15 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 33' ' ' ILE . 11.9 mm -128.5 77.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.02 111.09 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 10.5 ttmt -78.67 122.49 26.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.848 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.3 t0 83.41 -15.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 44.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 62.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.419 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.81 -86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 41.03 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -175.48 106.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 75.41 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.666 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -88.51 -32.0 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.1 111.132 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.3 m-20 157.73 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 53.34 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.845 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -128.35 -171.3 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.896 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -161.96 -96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.03 111.11 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.77 143.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 54.53 111.141 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.39 49.06 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.513 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.55 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.73 16.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 61.23 111.095 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 100' ' ' ALA . 6.4 mpt_? -131.0 113.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.33 110.874 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.27 8.12 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.88 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.451 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 11.7 p-10 -124.8 -10.18 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.3 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.33 -20.63 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.866 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 50' ' ' PHE . 30.4 tp -78.82 -76.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.823 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.75 -20.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 63.21 110.934 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 t30 -79.88 -34.08 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 70.43 110.834 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.593 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.8 m -80.78 -40.53 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 51.51 111.099 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -62.8 -26.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 55.43 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.8 m -78.77 -30.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.2 111.157 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -79.63 -28.27 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.928 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.87 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.0 m-70 -101.01 -47.45 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.815 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.9 t -94.73 -29.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 70.34 111.147 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.9 -11.38 84.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 74.03 112.487 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 71.24 111.071 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.891 0.377 . . . . 74.42 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.75 25.56 5.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 50.43 112.483 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -104.08 176.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 62.44 111.155 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 35.6 m -49.95 94.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 30.23 111.13 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.634 HG22 ' H ' ' A' ' 10' ' ' ALA . 14.2 mm -44.52 170.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.135 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -142.27 81.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 54.24 111.114 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -54.84 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.92 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.554 ' NE2' ' CG ' ' A' ' 64' ' ' LYS . 10.6 m170 67.56 16.51 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.897 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ASP . 17.0 t30 -152.39 10.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.642 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 62.66 -72.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 71.43 110.883 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -33.07 -34.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.899 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -89.13 -39.81 13.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.52 110.876 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -53.21 -32.43 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.2 110.884 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -70.83 -34.22 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.87 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -56.26 -29.13 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -94.97 -52.7 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 55.04 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HA ' ' HE2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -49.03 -24.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -94.9 -19.27 20.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.42 111.198 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -83.56 23.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.918 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.619 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.93 -47.0 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.046 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -41.39 96.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.896 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.17 -42.38 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.885 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 71.32 111.077 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 36.38 7.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.5 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -135.53 160.6 37.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 61.45 110.916 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -71.65 160.52 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.105 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 24' ' ' ALA . 36.3 t -111.5 143.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.23 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.863 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mp -141.54 98.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 55.21 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.74 126.78 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.105 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.8 t70 -99.01 91.89 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.857 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.751 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 32.4 m-85 -64.93 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.865 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.995 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 63.55 111.151 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.864 0.364 . . . . 73.3 110.878 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -71.56 -42.63 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.891 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -104.91 10.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.24 111.12 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.27 -54.21 55.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 75.22 111.105 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.79 4.66 2.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.676 2.251 . . . . 75.12 112.376 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.6 t -100.25 -47.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.117 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.0 m-30 -63.27 -71.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.32 -48.73 18.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.09 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -62.77 -32.55 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 72.34 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -71.37 -44.67 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.34 -42.69 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.24 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.82 -40.83 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.53 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.0 mtmt -53.74 -30.16 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 45.52 110.927 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.3 m-85 -113.24 88.66 12.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 72.33 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -1.61 8.72 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.728 2.285 . . . . 60.51 112.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.78 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.3 19.99 50.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.905 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.95 165.07 32.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.23 111.091 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.4 m -93.84 -36.83 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 43.22 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.905 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.4 m-85 58.28 151.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 64.53 110.86 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 170.24 148.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.04 110.935 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.26 132.29 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.91 179.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.821 ' CG2' HD21 ' A' ' 70' ' ' LEU . 8.6 p -118.62 163.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.31 111.102 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.1 t0 -120.6 115.19 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.864 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 36' ' ' THR . 2.5 m -80.48 34.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.12 -11.12 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 64.1 110.852 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' CD ' ' HB3' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -128.09 -38.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.857 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.821 HD21 ' CG2' ' A' ' 65' ' ' VAL . 1.7 pt? -124.66 22.42 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.77 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 64.5 110.925 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.7 pt-20 -35.82 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.888 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 71' ' ' LYS . 73.0 t -80.16 -45.34 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.12 111.166 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.751 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.61 -32.18 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.085 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.27 -23.78 67.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -81.42 -32.19 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.909 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.8 m-85 -96.39 -17.06 20.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.928 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 41.3 110.872 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.57 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.554 0.692 . . . . 75.34 110.932 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.2 Cg_endo -69.79 22.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 72.54 112.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -53.25 121.37 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 72.21 111.135 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.637 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -79.66 42.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.921 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.64 141.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.6 m-85 -118.85 153.07 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.875 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.791 HG12 HD11 ' A' ' 33' ' ' ILE . 5.1 mm -138.62 75.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 63.04 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttmt -78.04 122.76 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.914 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.22 -9.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 64.14 110.888 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.9 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 40.44 112.512 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.97 -87.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 75.12 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -176.53 105.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.653 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.17 -32.84 17.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.25 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.8 m-20 158.4 179.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.896 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.24 177.95 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.916 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 98' ' ' VAL . 44.0 t -147.33 -97.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.4 111.139 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.805 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.89 134.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 60.13 111.109 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.22 42.2 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.775 . . . . 74.44 112.458 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.9 12.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.734 0.302 . . . . 73.02 111.053 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.609 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -123.07 116.44 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 70.21 110.875 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.509 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.23 11.88 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.935 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.23 -3.84 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.04 110.872 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -112.22 -33.52 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.877 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.637 HD13 ' CE2' ' A' ' 85' ' ' PHE . 6.2 tp -62.29 -72.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.899 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.845 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.1 -33.93 20.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 t30 -64.7 -27.41 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 87' ' ' PHE . 3.8 m -86.7 -47.01 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.4 111.162 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.0 mp -55.53 -28.1 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 70.32 111.128 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 106' ' ' GLN . 15.8 m -78.46 -27.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.1 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -82.78 -27.7 30.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.923 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.654 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.9 m-70 -101.46 -46.8 4.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.24 110.839 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -95.29 -30.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.12 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.24 -10.89 76.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 30.35 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 51.13 111.106 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.92 0.39 . . . . 73.02 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.09 28.87 4.01 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 51.51 112.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.932 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -107.73 175.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 64.43 111.115 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 51' ' ' ALA . 25.5 m -51.76 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 64.54 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.617 HG22 ' N ' ' A' ' 10' ' ' ALA . 20.3 mm -45.01 168.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 61.14 111.098 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.24 74.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 42.14 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 14.6 p -68.86 165.74 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 44.15 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 80.1 m80 -163.61 35.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.11 110.843 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' CD ' ' A' ' 16' ' ' GLU . 2.8 p-10 -171.14 20.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.45 110.895 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 65.17 -68.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.894 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -29.63 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.901 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.22 -43.51 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.848 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -49.43 -37.46 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 64.51 110.911 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.8 m-20 -66.41 -37.2 84.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 62.12 110.868 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.64 -21.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 64.53 111.111 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 -52.59 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.12 -18.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 61.05 110.878 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.49 -21.97 15.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.16 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -84.39 27.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.2 110.893 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.635 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -126.59 -46.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.071 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -40.19 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 52.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -87.98 -40.96 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.916 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 70.51 111.112 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.41 36.94 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 70.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.5 ptpt -136.79 155.55 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 75.21 110.884 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -67.6 163.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.33 111.108 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' CB ' ' A' ' 24' ' ' ALA . 25.2 t -114.84 144.36 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.127 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.854 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.0 96.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.096 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.831 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -95.31 131.24 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.113 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -107.2 92.8 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.856 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' C ' HG22 ' A' ' 36' ' ' THR . 45.7 m-85 -62.59 -164.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 63.12 110.832 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.602 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 62.02 111.192 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.838 0.351 . . . . 72.22 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -67.5 -42.3 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.45 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.2 tt -104.11 10.6 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.35 -54.65 52.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 53.23 111.092 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.82 4.31 2.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 74.4 112.38 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.4 t -98.83 -47.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.23 111.094 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.3 m-30 -65.06 -71.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.857 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.85 -47.53 11.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.41 111.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.7 pt-20 -63.9 -33.64 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 62.4 110.855 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.714 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.8 m-30 -68.44 -47.91 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.959 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.814 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.27 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 65.42 111.096 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.1 mtpp -76.36 -40.43 51.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.932 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -58.82 -24.96 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.944 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.4 m-85 -116.72 87.61 22.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 72.01 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -6.24 18.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 72.4 112.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.783 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -89.57 19.47 40.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 60.11 112.536 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.87 168.45 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 43.14 111.111 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.3 m -101.13 -33.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.11 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.6 m-85 56.15 160.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.79 147.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.921 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -121.15 134.71 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 62.02 110.863 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -125.9 165.18 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 62.1 111.15 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.82 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.0 t0 -110.64 119.86 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.3 m -83.02 33.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.102 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.45 -20.21 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.902 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 12' ' ' HIS . 14.0 pt-20 -115.45 -36.24 4.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -125.3 24.46 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.0 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.895 179.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.8 pt-20 -35.74 -28.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' LYS . 92.0 t -80.44 -45.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 61.32 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -62.49 -24.83 67.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 31.41 111.086 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.6 59.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.892 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -63.47 -35.79 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -95.85 -7.91 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.927 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.41 110.882 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.528 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.579 0.704 . . . . 75.24 110.867 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.83 21.75 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 64.34 112.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.35 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 55.35 111.133 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -82.08 39.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.869 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.646 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.68 142.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.911 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 23.4 m-85 -120.81 149.18 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.774 HG12 HD11 ' A' ' 33' ' ' ILE . 7.3 mm -133.85 75.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 72.15 111.099 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.57 122.94 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.881 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.0 t0 81.9 -11.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 71.32 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.12 41.24 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 54.42 112.509 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.01 -85.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.308 . . . . 61.41 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -177.8 108.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 64.33 110.899 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.866 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -91.29 -31.03 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 45.22 111.073 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.14 179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 71.01 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.705 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -136.78 174.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.896 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 98' ' ' VAL . 56.1 t -149.76 -100.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.139 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 166.02 134.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 54.04 111.115 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.56 45.29 1.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.523 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -147.61 0.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 71.41 111.102 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.45 HH21 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -101.83 104.4 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.893 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.518 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -81.98 2.15 32.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.878 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.47 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 2.9 p30 -129.54 -10.02 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.858 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -104.33 -25.0 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.728 HD22 ' CE1' ' A' ' 50' ' ' PHE . 34.0 tp -70.46 -74.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.936 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.704 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.61 -20.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.921 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -80.88 -33.29 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.898 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 2.8 m -80.45 -36.42 33.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 62.15 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -65.99 -26.35 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.01 111.188 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 106' ' ' GLN . 26.9 m -77.61 -31.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 64.34 111.103 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -78.36 -28.22 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.866 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.7 m-70 -100.78 -47.95 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 59' ' ' GLY . 5.0 t -94.46 -31.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 64.53 111.103 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -77.09 -22.54 70.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 72.13 112.471 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 63.22 111.084 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.906 0.384 . . . . 74.25 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.3 22.82 7.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 72.03 112.472 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.973 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -101.83 -178.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 72.54 111.123 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.83 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 32.0 m -51.43 94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 52.2 111.095 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 39.8 mm -42.23 166.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.093 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.633 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.1 57.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 54.52 111.14 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 162.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.945 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.538 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -170.11 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 65.33 110.844 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.545 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 179.76 27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.911 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.616 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.84 -69.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.12 110.919 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -30.79 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.877 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.485 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 1.2 mt-10 -81.98 -42.5 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.889 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.29 -41.9 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.51 110.853 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.22 -43.17 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.914 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.15 -25.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.1 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -104.95 -51.52 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.917 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.32 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.6 -23.85 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 62.21 111.175 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -83.74 25.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.898 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -128.61 -41.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 63.35 111.102 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.58 -46.15 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.84 -46.35 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.858 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.1 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 63.12 111.095 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 36.04 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 74.15 112.514 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.627 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.13 158.99 31.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 72.14 110.879 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.9 OUTLIER -70.7 162.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.137 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 ' N ' HG13 ' A' ' 30' ' ' VAL . 68.2 t -119.35 149.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.859 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.1 97.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.51 111.144 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.3 128.4 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.105 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -99.67 86.61 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.33 110.867 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 24.2 m-85 -60.21 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.896 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.996 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.02 111.173 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.79 0.329 . . . . 64.44 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -78.56 -41.25 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.91 9.95 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 75.45 111.118 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.675 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.35 -55.17 45.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 74.42 111.123 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.76 5.19 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 75.41 112.388 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.0 t -100.08 -47.94 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 54.4 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.22 -71.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.39 -49.24 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 62.15 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -61.54 -33.91 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.909 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.657 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.1 m-30 -69.17 -45.04 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 65.21 110.903 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.15 -43.13 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.053 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.973 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -80.04 -43.49 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 70.02 110.904 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -53.53 -29.52 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.912 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.537 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.2 m-85 -111.76 89.2 10.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 74.11 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.88 17.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 73.34 112.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.767 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.81 17.89 52.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 62.02 112.48 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.89 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.36 167.78 22.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 54.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.627 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.9 m -101.29 -34.09 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.115 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.89 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.8 m-85 55.88 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.53 110.888 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.788 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 164.36 150.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.887 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.09 128.26 47.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.839 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -126.07 167.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.41 111.141 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.774 ' O ' HD23 ' A' ' 70' ' ' LEU . 30.2 t0 -113.0 123.55 50.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.855 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.996 HG22 ' O ' ' A' ' 36' ' ' THR . 10.3 m -82.03 32.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -124.34 -20.18 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.94 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.54 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.7 pt? -130.03 24.43 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -33.46 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.889 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.8 pt-20 -38.03 -26.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' LYS . 59.5 t -82.63 -42.23 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.52 111.102 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -71.36 -24.07 62.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.158 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.85 -20.05 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.886 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -86.23 -31.59 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.54 110.909 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -94.12 -15.78 24.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 61.24 110.916 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.498 ' HE3' ' O ' ' A' ' 82' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.564 0.697 . . . . 53.55 110.875 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.81 38.5 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.73 2.286 . . . . 52.43 112.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -61.97 120.25 10.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.41 111.176 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -79.49 53.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 65.13 110.856 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.91 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.98 139.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.35 110.925 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.649 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 35.1 m-85 -116.94 146.18 43.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.725 HG12 HD11 ' A' ' 33' ' ' ILE . 7.5 mm -131.32 75.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 71.22 111.117 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 12.2 ttmt -77.32 122.73 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 65.42 110.923 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t0 81.84 -9.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.87 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.97 43.39 2.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 52.42 112.483 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 88' ' ' ILE . . . -147.14 -86.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 70.13 111.093 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -175.41 108.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.14 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -92.83 -31.89 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.01 111.093 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.3 m-20 157.04 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.887 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.91 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -125.81 -172.2 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 71.1 110.888 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.802 HG12 ' N ' ' A' ' 98' ' ' VAL . 38.4 t -160.12 -95.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.144 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.802 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.22 141.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.55 111.091 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.67 45.02 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 64.55 112.453 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.643 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.24 11.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 33.4 111.112 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 5.7 mpt_? -128.31 114.44 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 54.5 110.887 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.31 7.81 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.909 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 7.4 t70 -121.85 -9.02 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.919 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.448 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -107.78 -23.19 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.845 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.597 HD22 ' CE1' ' A' ' 50' ' ' PHE . 36.1 tp -74.7 -77.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 61.53 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.844 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.75 -20.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.941 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.704 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.6 t30 -78.64 -35.57 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.904 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.623 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -80.11 -42.01 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 71.13 111.164 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -60.96 -26.73 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.55 111.136 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.92 -29.53 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.31 111.092 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.428 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.86 -28.76 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.882 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.803 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.9 m-70 -100.34 -46.75 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.14 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -95.29 -31.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.119 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.51 -15.12 81.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 63.05 112.48 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 42.33 111.052 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.4 ' HB2' HG13 ' A' ' 7' ' ' VAL . 3.7 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.878 0.371 . . . . 71.22 110.914 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.53 26.39 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 43.3 112.503 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -104.87 177.6 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 70.34 111.159 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 31.8 m -49.61 97.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.119 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.611 HG22 ' N ' ' A' ' 10' ' ' ALA . 13.2 mm -49.46 168.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.15 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.775 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.06 93.22 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.108 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HB2' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -62.59 -179.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 71.42 110.891 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 179.59 28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.86 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 173.03 29.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.31 110.868 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.569 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.16 -70.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 70.52 110.932 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.72 -36.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.89 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -82.33 -43.24 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.907 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -54.5 -49.47 70.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.42 110.887 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.525 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -58.87 -33.32 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.86 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -47.66 -18.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.078 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -107.11 -54.07 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 51.52 110.873 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.598 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.84 -21.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -88.5 -30.74 19.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 72.04 111.109 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.6 mppt? -81.93 24.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.897 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.83 -43.36 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 73.02 111.095 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -71.75 -39.17 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.938 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.13 -39.05 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.909 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -65.87 -30.2 70.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.55 111.093 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.42 38.15 7.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 63.42 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 8.8 ptpt -134.77 155.14 51.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 73.34 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -65.48 161.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.596 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 40.9 t -113.66 142.93 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 54.42 111.158 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.85 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mp -141.17 96.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.41 111.136 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.06 127.71 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.02 111.099 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 12.4 t70 -101.57 88.18 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.873 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 34.1 m-85 -61.3 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.23 111.151 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.896 0.379 . . . . 74.42 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -75.54 -46.37 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 75.51 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.73 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 1.2 tt -92.33 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.635 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -47.95 -52.11 42.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 40.42 111.118 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.4 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 72.15 112.351 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.989 HG21 ' HD2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -97.68 -41.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 71.24 111.103 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 105' ' ' LEU . 19.2 m-30 -64.83 -73.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.03 110.88 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -51.72 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 44.44 111.113 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 5.8 pt-20 -55.01 -39.23 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.718 ' CZ ' HG22 ' A' ' 49' ' ' VAL . 13.0 m-30 -66.21 -48.93 69.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.934 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.38 -44.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.109 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -81.83 -44.81 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -29.26 58.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 62.01 110.932 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.95 85.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 73.2 110.858 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 60.15 112.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.596 ' C ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 15.08 62.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 52.04 112.465 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.875 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.0 168.91 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 71.11 111.106 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 15.8 m -98.59 -34.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.153 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.875 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 76.2 m-85 56.35 159.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 159.07 148.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.891 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -112.47 137.33 50.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.867 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.745 HG13 HD21 ' A' ' 70' ' ' LEU . 75.0 t -120.14 152.81 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.14 111.129 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.874 ' O ' HD23 ' A' ' 70' ' ' LEU . 26.0 t0 -111.38 112.12 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 65.4 110.853 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 36' ' ' THR . 2.6 m -79.94 32.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.01 -12.73 6.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 71.4 110.836 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 12' ' ' HIS . 13.5 pt-20 -126.25 -31.48 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.876 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.8 pt? -131.57 24.0 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.23 -35.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 54.42 110.903 179.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -34.84 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.02 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.3 t -77.83 -47.58 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.184 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 63.24 111.091 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.21 -26.76 66.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -78.9 -33.43 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.904 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.4 m-85 -93.86 -17.81 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 64.52 110.945 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.9 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.45 110.869 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.52 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.547 0.689 . . . . 63.25 110.882 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.78 19.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 73.32 112.352 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -44.19 126.21 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.131 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.737 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -86.6 46.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.841 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -32.14 145.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.951 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 30.9 m-85 -124.39 139.42 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.828 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.779 HG12 HD11 ' A' ' 33' ' ' ILE . 9.8 mm -127.12 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 73.32 111.109 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 8.5 ttmt -75.28 123.8 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 61.12 110.9 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.9 t70 81.35 -15.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.61 42.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 64.25 112.461 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -144.35 -87.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 75.1 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.68 103.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.875 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.13 -34.72 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.1 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER 159.27 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.901 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.22 171.56 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.12 110.913 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 98' ' ' VAL . 42.9 t -141.39 -97.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 51.23 111.13 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.97 128.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.143 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.39 46.09 2.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 50.53 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -157.41 16.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 61.21 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.482 ' HD3' HG11 ' A' ' 98' ' ' VAL . 9.5 mpt_? -126.19 115.02 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.861 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.989 ' HD2' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -88.58 7.75 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.05 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.08 -10.47 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.14 110.886 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HB3' HG13 ' A' ' 97' ' ' VAL . 2.8 t0 -109.57 -36.2 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 71.03 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -66.04 -77.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.751 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -48.43 -18.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 64.53 110.888 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.799 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.8 m-80 -83.05 -32.37 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.84 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.547 ' CG2' ' CD2' ' A' ' 112' ' ' HIS . 19.3 m -80.04 -41.42 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.23 111.128 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.1 mp -57.73 -28.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 107' ' ' ASN . 26.0 m -77.51 -26.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.189 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 3.1 ptmt -84.12 -28.16 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.2 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.695 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.2 m-70 -100.83 -47.79 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.854 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.596 HG13 ' C ' ' A' ' 59' ' ' GLY . 11.9 t -94.27 -30.66 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 74.11 111.161 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.77 -10.72 86.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 53.22 112.502 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.43 111.103 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.892 0.377 . . . . 63.24 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.62 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 63.45 112.492 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.834 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 72.03 111.14 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.6 m -47.6 93.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.157 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.603 HG22 ' N ' ' A' ' 10' ' ' ALA . 14.1 mm -43.05 167.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.131 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.603 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.24 80.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.113 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -64.65 159.27 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.895 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.6 t60 -165.43 37.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.858 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.579 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 176.94 25.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.866 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.72 -70.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 61.21 110.871 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.45 -37.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.854 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.03 -43.68 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 61.34 110.87 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.73 -40.15 62.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.885 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -66.28 -45.37 80.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.883 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' ASP . . . -36.86 -27.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.52 111.086 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' ASP . 16.5 mp0 -102.65 -44.51 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.914 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.627 ' HA ' ' HE2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.98 -35.16 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.857 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -88.97 -19.49 25.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.129 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.21 23.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.02 110.887 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.51 -44.62 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 73.2 111.123 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -67.55 -45.62 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.912 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.68 -42.29 61.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.862 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 61.24 111.093 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.75 36.21 12.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 53.21 112.533 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -129.54 157.41 42.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 63.02 110.88 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -68.99 163.04 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 52.24 111.14 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 24' ' ' ALA . 24.5 t -116.95 147.84 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.04 111.142 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.874 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.73 97.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.2 111.128 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 88' ' ' ILE . 0.5 OUTLIER -96.56 125.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.34 111.128 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.93 89.97 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.873 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.586 ' C ' HG22 ' A' ' 36' ' ' THR . 49.1 m-85 -60.24 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.11 111.18 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.819 0.343 . . . . 71.41 110.937 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.45 -42.88 74.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.45 110.871 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.783 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -102.38 10.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.104 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.65 -54.23 55.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 63.03 111.107 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.74 5.76 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 71.21 112.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.536 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.1 t -101.53 -46.92 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.118 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.3 m-30 -64.83 -70.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.923 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -50.21 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.34 111.058 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -58.85 -34.94 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 65.32 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.1 m-30 -69.52 -48.77 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.943 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -38.99 -45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 62.3 111.121 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.834 ' HD2' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -75.57 -40.52 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -57.72 -28.24 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 45.11 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 109' ' ' ILE . 19.3 m-85 -113.08 88.14 11.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 70.42 110.834 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.56 26.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 64.24 112.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.636 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -87.06 18.7 34.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 52.31 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.907 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.06 163.67 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 74.04 111.082 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG12 ' HD3' ' A' ' 29' ' ' LYS . 24.7 m -94.02 -35.91 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 53.52 111.131 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.907 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.1 m-85 57.11 158.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.863 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.01 147.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 52.21 110.927 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.1 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.916 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 70' ' ' LEU . 77.6 t -117.69 158.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.892 ' O ' HD23 ' A' ' 70' ' ' LEU . 19.6 t70 -114.32 104.24 11.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 61.23 110.859 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' HB2' ' A' ' 74' ' ' ALA . 13.4 m -76.94 37.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -127.61 -22.29 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.21 110.859 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -121.08 -30.17 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 62.31 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.1 pt? -126.95 22.66 6.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.886 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.77 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.887 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.4 pt-20 -35.11 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.91 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' LYS . 65.0 t -78.6 -49.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.4 111.165 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -63.48 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 50.21 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.22 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -83.57 -33.84 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.898 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.3 m-85 -93.6 -15.49 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 63.22 110.904 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.89 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.485 ' CE ' ' OG1' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.543 0.687 . . . . 64.13 110.92 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.79 37.97 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 75.15 112.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.563 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -62.27 121.29 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.23 111.117 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.1 m-85 -80.36 40.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.893 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.81 144.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 44.45 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 32.4 m-85 -122.88 143.41 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.854 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 12.7 mm -129.51 74.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.14 111.137 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttmm -77.62 122.97 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.91 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.4 t0 83.25 -7.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.809 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.44 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 43.45 112.471 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.25 -86.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 71.33 111.098 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -177.99 104.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.43 -32.91 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 43.11 111.106 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 160.08 179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.753 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -135.4 172.05 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 61.22 110.928 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 98' ' ' VAL . 55.2 t -145.2 -100.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 60.43 111.123 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 167.38 145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.134 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.68 49.87 2.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 52.11 112.473 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.532 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.11 15.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 43.4 111.107 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -128.71 114.86 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 72.25 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 13.17 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.55 110.909 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.9 -3.45 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 64.25 110.875 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.04 -32.07 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.863 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.679 HD12 ' CD1' ' A' ' 109' ' ' ILE . 8.7 tp -64.66 -74.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 64.42 110.922 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.809 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.83 -30.66 6.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.95 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.626 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 t30 -69.75 -31.48 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.87 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.573 HG21 ' CE1' ' A' ' 87' ' ' PHE . 23.4 m -82.66 -43.44 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 63.55 111.144 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.679 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -60.11 -26.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.52 111.1 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.2 m -78.76 -29.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.21 111.143 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.48 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.69 -26.99 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.854 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.591 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.6 m-70 -103.12 -47.57 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 74.14 110.865 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -93.99 -29.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.155 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.37 -14.41 81.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 65.34 112.478 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 42.24 111.113 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 53.25 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.24 27.31 3.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 52.23 112.454 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.917 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -109.51 178.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 62.42 111.168 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.925 HG22 ' HA ' ' A' ' 51' ' ' ALA . 15.8 m -44.15 92.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.5 111.116 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 10' ' ' ALA . 46.2 mm -38.16 158.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.51 111.15 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -120.6 73.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 63.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.029 ' HB2' HD11 ' A' ' 63' ' ' LEU . 38.3 t -47.62 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.911 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 7.4 m80 63.72 27.15 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.864 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ASP . 19.2 t30 -160.97 11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.15 110.899 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.582 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 59.71 -73.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.843 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -30.5 -37.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.852 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -80.77 -43.1 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.12 110.863 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.91 -42.26 47.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.89 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.6 m-20 -68.15 -35.91 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.79 67.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 62.41 111.072 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.41 -50.6 6.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.901 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.476 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -51.04 -26.7 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.01 110.856 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -91.81 -21.42 20.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 61.23 111.133 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -83.16 20.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.33 -44.91 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.35 111.123 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -65.33 -42.26 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.881 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -85.88 -41.26 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.2 110.912 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.69 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 61.43 111.113 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.98 35.57 8.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 62.53 112.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.3 ptpt -134.65 161.14 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.24 110.895 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.793 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -72.54 161.84 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.129 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.59 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.5 t -112.55 144.67 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 52.11 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.18 97.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.97 122.55 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.123 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.672 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -97.88 93.52 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.891 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 36.6 m-85 -63.89 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.862 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 61.35 111.104 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.85 0.357 . . . . 70.24 110.841 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.33 -42.49 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.1 tt -102.98 10.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 45.12 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.84 -54.66 51.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 71.1 111.111 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 75.53 112.362 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.9 t -101.93 -47.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.105 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.8 m-30 -63.06 -69.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.42 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.04 -47.78 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 73.31 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -63.61 -32.0 73.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.929 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.4 m-30 -72.7 -44.24 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 62.21 110.943 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -42.47 -42.68 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 74.54 111.136 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.917 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.0 mtpp -78.17 -41.57 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.88 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.1 mtmt -54.89 -28.31 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.921 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.654 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 13.6 m-85 -113.22 87.92 11.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.742 . . . . 73.44 110.899 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.95 13.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.647 2.231 . . . . 65.33 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.797 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -92.32 20.09 45.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.462 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.23 164.37 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 31.2 111.09 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 29' ' ' LYS . 28.8 m -93.42 -37.18 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.6 m-85 58.74 145.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 55.31 110.891 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.029 HD11 ' HB2' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.98 146.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.94 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.07 126.29 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.89 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -121.35 173.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.14 111.145 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.853 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.6 t70 -118.88 121.05 39.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.93 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.818 HG12 ' HB2' ' A' ' 74' ' ' ALA . 17.9 m -82.76 30.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 70.23 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.94 -22.99 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 64.33 110.912 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 12' ' ' HIS . 12.4 pt-20 -115.12 -37.94 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 44.01 110.857 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -120.48 22.87 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 53.34 110.901 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.28 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.921 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pt-20 -35.55 -28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.909 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -79.69 -46.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 71.43 111.079 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.818 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -65.55 -29.41 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.144 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.67 -21.82 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.75 -37.53 35.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 75.54 110.902 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.706 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.4 m-85 -91.73 -14.91 29.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 73.44 110.905 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.52 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.585 0.707 . . . . 51.31 110.843 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.74 18.91 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 73.51 112.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -43.75 127.82 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.149 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.672 ' CE1' ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.14 55.75 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.869 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -45.44 142.74 2.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 64.3 110.916 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 37.8 m-85 -120.52 145.93 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.863 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.776 HG12 HD11 ' A' ' 33' ' ' ILE . 10.5 mm -132.0 75.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.33 111.1 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpp -76.63 122.36 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.899 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.32 -18.07 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.54 43.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 72.25 112.522 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -146.97 -87.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 54.34 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -174.5 105.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.79 -31.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.52 111.107 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 3.2 m-20 157.23 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.842 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.17 -169.33 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 61.23 110.918 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.863 HG12 ' N ' ' A' ' 98' ' ' VAL . 35.7 t -161.37 -96.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.177 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.863 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 156.46 124.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.52 111.075 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.19 43.72 2.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 65.43 112.503 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.14 12.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 63.44 111.156 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -126.07 114.54 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.914 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 46' ' ' ILE . 3.3 tmtt? -84.64 7.61 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 71.54 110.891 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.44 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 25.7 t0 -124.87 -8.92 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.881 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.408 ' HB3' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -107.22 -21.49 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 65.4 110.875 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.5 tp -74.79 -75.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.44 110.91 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.899 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.29 -24.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.906 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 m-80 -74.0 -35.57 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.647 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -79.72 -43.42 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 65.21 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.3 mp -59.4 -27.14 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 64.01 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.3 m -78.39 -28.66 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 70.2 111.079 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.0 -29.19 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.793 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.8 m-70 -99.68 -47.62 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.831 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -94.48 -30.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.129 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.46 -11.35 85.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 74.15 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 64.43 111.093 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.935 0.398 . . . . 40.22 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.68 17.07 9.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.14 112.521 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.966 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -102.38 175.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 71.32 111.118 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.1 m -50.24 94.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 10' ' ' ALA . 37.8 mm -42.41 166.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.14 111.088 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.643 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.4 74.69 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.44 111.121 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -64.47 161.5 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 65.03 110.929 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 77.7 m-70 -167.23 34.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.856 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.497 ' ND2' ' C ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.09 25.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.862 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 65.35 -68.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.04 110.925 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -28.76 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.82 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.4 mt-10 -80.61 -43.53 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 71.12 110.883 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.35 -42.08 61.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.851 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.636 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.56 -46.64 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.55 110.909 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.57 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.099 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -100.41 -53.28 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.92 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.23 -19.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.46 -21.85 14.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 72.11 111.119 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.2 mttt -84.22 26.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.12 110.855 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -132.42 -42.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 72.15 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.87 -39.75 87.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.66 -40.82 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.879 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -69.32 -26.38 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.2 111.102 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.07 35.02 10.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 71.4 112.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -125.8 169.8 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 72.33 110.896 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -81.79 161.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 64.43 111.098 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.578 ' N ' HG13 ' A' ' 30' ' ' VAL . 38.6 t -116.25 146.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 62.31 111.146 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.27 97.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 70.11 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.917 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -97.26 133.03 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.3 111.132 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -109.18 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 62.35 110.859 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.652 ' C ' HG22 ' A' ' 36' ' ' THR . 59.5 m-85 -69.04 -161.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 55.5 110.877 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.652 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.171 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 71.21 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -79.58 -40.9 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.701 HG23 ' CE2' ' A' ' 50' ' ' PHE . 5.1 tt -103.42 9.4 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.62 -55.19 45.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 53.42 111.142 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 72.41 112.353 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 2.6 t -100.5 -48.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.167 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 46' ' ' ILE . 23.7 m-85 -62.64 -71.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.03 110.832 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.47 -50.9 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.1 pt-20 -60.37 -33.87 73.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 61.55 110.926 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.3 m-30 -70.36 -43.59 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.939 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -44.95 -43.02 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 64.24 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.966 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.0 mtpp -78.85 -42.76 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.05 110.902 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 1.6 mtmt -54.9 -28.29 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 70.42 110.917 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.537 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.1 m-85 -113.06 88.69 12.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.652 0.739 . . . . 61.11 110.841 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -4.39 13.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 42.21 112.385 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.71 20.4 42.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 60.43 112.517 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.899 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.42 169.1 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 71.11 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.504 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 34.6 m -102.68 -34.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.43 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.899 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 56.12 161.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.85 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.917 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 161.83 147.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.928 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.22 133.95 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.882 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.98 168.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.107 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.6 t0 -114.01 120.61 41.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.11 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 74' ' ' ALA . 11.8 m -79.2 38.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.41 111.11 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -128.71 -17.83 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.829 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -120.11 -32.23 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.903 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -126.19 25.05 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 63.53 110.952 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -34.44 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.891 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.6 pt-20 -43.04 -22.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 46.1 t -93.53 -29.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 63.2 111.085 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.874 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -83.17 -7.81 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 53.51 111.098 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -104.23 -21.0 13.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 63.33 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.64 ' CD ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -82.81 -23.97 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.874 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' A' ' 76' ' ' LYS . 17.0 m-85 -101.45 -23.09 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.02 110.885 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 5.3 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.873 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.567 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.624 0.725 . . . . 75.22 110.859 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 82' ' ' MET . 54.0 Cg_endo -69.73 40.03 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 72.5 112.385 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -54.56 126.85 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 71.01 111.112 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -83.19 39.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.916 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -32.35 143.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 70.23 110.884 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.2 m-85 -121.81 148.28 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.3 110.87 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.738 HG12 HD11 ' A' ' 33' ' ' ILE . 7.7 mm -131.77 72.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 55.42 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 5.5 ttmm -75.16 122.97 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 64.21 110.86 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.6 t70 82.87 -10.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.831 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.74 41.61 2.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 42.32 112.482 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.45 -85.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 75.32 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -176.09 111.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.928 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -96.11 -29.96 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 43.41 111.106 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 158.72 179.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.849 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.576 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.62 170.16 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.32 110.9 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 98' ' ' VAL . 54.0 t -141.76 -100.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.51 111.132 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 165.2 138.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 63.42 111.197 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.51 48.6 4.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 62.22 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.488 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.87 17.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 60.22 111.101 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -128.48 100.38 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 71.13 110.867 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -75.7 4.46 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 53.52 110.876 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -121.83 -7.29 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 52.15 110.854 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.2 -15.79 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 11.4 tp -76.09 -76.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.805 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.11 -29.77 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.921 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.9 t30 -67.21 -32.54 73.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.615 HG21 ' CE1' ' A' ' 87' ' ' PHE . 11.8 m -83.72 -43.16 15.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 71.43 111.171 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.594 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.5 mp -59.83 -26.95 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 74.52 111.165 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.13 -31.26 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 71.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.429 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -78.77 -29.59 45.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.913 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.815 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.2 m-70 -99.59 -47.78 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -94.25 -30.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 70.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.8 -12.36 83.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 74.2 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 62.2 111.125 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.893 0.378 . . . . 54.14 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.65 16.52 14.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 63.54 112.53 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.996 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -96.41 179.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 71.42 111.135 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 51' ' ' ALA . 26.8 m -48.79 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.62 HG22 ' N ' ' A' ' 10' ' ' ALA . 43.7 mm -41.13 164.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.35 111.179 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -134.3 87.03 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 70.22 111.092 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' N ' ' A' ' 17' ' ' PHE . 60.2 m -103.02 118.6 37.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.874 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -125.84 43.98 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.537 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 8.0 t30 -160.36 18.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.922 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.691 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.24 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.3 110.91 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -34.43 -34.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.887 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' C ' ' HG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.65 -37.87 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 73.45 110.859 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.05 -34.91 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.88 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.511 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -66.78 -32.3 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 73.41 110.885 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -18.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.25 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.428 ' CD ' HG13 ' A' ' 9' ' ' ILE . 2.3 mp0 -109.13 -54.53 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 1.026 ' SD ' HG11 ' A' ' 31' ' ' VAL . 2.5 tpp -48.76 -20.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -95.51 -27.22 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.21 111.115 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -74.46 9.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 62.5 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -108.44 -44.14 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.113 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.883 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.06 -44.21 48.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.914 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.61 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -78.21 -22.12 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.04 111.115 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.71 37.24 20.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 44.54 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -122.31 164.31 18.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 73.2 110.928 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 89' ' ' LYS . 1.1 t -75.78 159.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.34 111.16 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 1.026 HG11 ' SD ' ' A' ' 21' ' ' MET . 70.8 t -118.7 145.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.33 111.131 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.3 mp -135.86 99.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 50.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -97.55 120.55 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 72.42 111.126 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.594 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -92.46 90.17 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 71.35 110.877 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 18.8 m-85 -64.71 -167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.789 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.35 111.107 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.79 0.329 . . . . 74.01 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.23 -43.43 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.78 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.4 tt -103.43 10.04 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 74.54 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.12 -54.66 50.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 73.52 111.082 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 6.39 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 75.54 112.355 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.603 HG13 ' CE2' ' A' ' 53' ' ' TYR . 3.7 t -102.54 -48.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 72.21 111.117 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.0 m-30 -61.91 -69.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.88 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.53 -49.82 44.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.114 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -60.98 -29.24 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.847 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CE2' HG13 ' A' ' 49' ' ' VAL . 6.6 m-30 -75.61 -45.9 34.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.898 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -40.62 -40.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 54.23 111.109 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.996 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.2 mtpp -80.51 -43.65 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.908 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -49.4 -33.89 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 61.31 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.0 m-85 -108.49 90.36 7.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 54.34 110.873 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.72 8.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.659 2.239 . . . . 74.12 112.342 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.6 19.88 52.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 71.33 112.498 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.827 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.6 163.02 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 73.4 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.811 HG12 ' HD3' ' A' ' 29' ' ' LYS . 4.3 m -97.66 -29.07 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.53 111.131 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.827 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 53.55 167.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.922 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 33' ' ' ILE . 1.2 tp 159.3 152.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -132.8 126.77 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 53.32 110.893 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -123.71 -176.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 73.22 111.115 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.806 ' O ' HD23 ' A' ' 70' ' ' LEU . 4.4 t0 -126.61 124.39 39.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.868 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 36' ' ' THR . 14.7 m -84.2 31.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.133 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -123.15 -15.78 7.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.862 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -120.51 -34.8 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.58 23.96 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.931 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.75 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.932 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.7 pt-20 -36.54 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 46.8 t -81.15 -43.83 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 43.14 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -70.52 -27.65 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 43.25 111.06 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -24.85 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 72.44 110.912 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.61 -32.99 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.923 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.8 m-85 -92.83 -15.36 26.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.969 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.876 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.557 0.694 . . . . 64.01 110.887 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.79 37.64 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 51.45 112.361 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -61.74 121.33 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.115 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -77.93 44.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.925 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.663 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.42 141.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.15 110.906 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 24.6 m-85 -119.8 151.11 39.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.816 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -137.76 77.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.734 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.0 ttpt -77.38 121.76 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.909 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.1 t70 83.08 -16.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.891 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.95 41.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 63.13 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' C ' HG23 ' A' ' 88' ' ' ILE . . . -143.15 -86.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 54.24 111.085 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -178.5 106.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.2 110.911 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.21 -31.74 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.23 111.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.6 m-20 157.51 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 70.21 110.894 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.51 172.54 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 51.33 110.891 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -142.36 -96.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.143 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.821 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.19 143.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.115 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.28 48.73 2.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 72.14 112.479 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.97 15.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 75.44 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 1.7 mpt_? -127.57 115.78 19.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.79 11.69 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.871 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.12 -1.81 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.53 110.885 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -115.12 -34.48 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 63.22 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 109' ' ' ILE . 12.7 tp -60.05 -72.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 70.23 110.943 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.854 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -52.53 -18.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.912 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -78.06 -34.19 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.862 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.576 HG23 ' CD2' ' A' ' 112' ' ' HIS . 1.8 m -82.54 -37.15 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.51 111.096 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.704 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -63.71 -23.4 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 62.23 111.17 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 106' ' ' GLN . 24.3 m -82.06 -26.66 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 65.13 111.106 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -83.77 -28.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.889 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.64 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.7 m-70 -100.66 -47.12 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 73.04 110.882 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.3 t -94.56 -30.94 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.2 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.94 -19.03 78.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 71.52 112.538 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 34.31 111.089 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.878 0.371 . . . . 72.12 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.89 28.09 3.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 74.15 112.497 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -107.45 176.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 74.44 111.118 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.5 m -48.2 94.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 72.13 111.142 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.621 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.9 mm -42.58 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.05 111.129 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -146.76 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 61.12 111.134 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.494 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 19.7 p -71.49 -173.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.913 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 2.5 p-80 -179.84 29.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 75.55 110.887 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.539 ' CG ' ' O ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.97 19.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.867 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.606 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 68.46 -66.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.91 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -27.39 -42.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 65.43 110.862 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -81.84 -44.71 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.889 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.09 -43.24 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.879 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.523 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.41 -33.61 76.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 50.42 110.877 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -52.34 -28.18 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 -53.01 4.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.943 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.697 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.28 -34.35 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.849 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -83.72 -24.72 31.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.13 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -82.18 26.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.418 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.64 -51.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 62.34 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -47.11 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.88 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.7 -41.9 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.89 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -67.15 -28.17 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.132 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.56 31.06 11.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 55.43 112.475 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD3' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -124.17 170.07 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 72.54 110.912 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -84.14 160.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.04 111.1 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.55 ' N ' HG13 ' A' ' 30' ' ' VAL . 49.0 t -112.11 145.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.182 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.879 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -141.73 98.78 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.33 111.174 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.828 HG23 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -100.28 128.63 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.104 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.6 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -104.24 92.07 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.21 110.899 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.638 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 37.0 m-85 -62.91 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 70.35 110.876 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.609 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 43.11 111.184 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.859 0.361 . . . . 73.32 110.911 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.12 -46.17 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.15 110.856 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.763 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.9 tt -97.39 6.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.084 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -54.21 -55.08 40.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 52.03 111.119 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -1.47 8.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 70.01 112.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 ' CE2' ' A' ' 53' ' ' TYR . 2.8 t -93.5 -43.28 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 52.41 111.096 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -67.2 -70.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.41 -48.58 13.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 32.12 111.106 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 48' ' ' PRO . 8.0 pt-20 -61.19 -35.3 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.859 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.67 ' CE2' HG13 ' A' ' 49' ' ' VAL . 9.1 m-30 -69.56 -44.88 69.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 72.12 110.894 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.33 -44.83 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 71.51 111.113 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.2 mtpp -76.97 -41.55 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 71.3 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -56.99 -24.36 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 72.54 110.875 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.5 m-85 -117.08 88.99 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 74.1 110.875 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.87 29.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 72.42 112.347 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.815 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -86.31 21.77 15.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 65.12 112.516 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.16 167.63 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 72.34 111.04 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HD3' ' A' ' 29' ' ' LYS . 6.2 m -100.06 -36.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.8 m-85 57.55 153.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.869 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.73 148.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.946 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.715 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.88 132.35 54.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.52 110.911 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -128.52 158.63 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.04 111.133 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.682 ' O ' HD23 ' A' ' 70' ' ' LEU . 15.9 t0 -105.41 123.91 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.884 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.694 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.3 m -82.87 35.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 73.11 111.15 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -125.95 -21.7 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.882 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 1.5 pt-20 -113.73 -36.13 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.887 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.2 pt? -126.59 22.94 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.29 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 72.51 110.893 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pt-20 -35.5 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 44.33 110.908 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 81.0 t -79.29 -46.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.4 111.103 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -68.0 -24.33 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.39 -24.3 60.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.884 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -81.42 -33.62 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 64.03 110.86 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.8 m-85 -91.9 -14.72 29.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 70.42 110.946 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 12.0 t-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 64.13 110.885 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.537 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.573 0.701 . . . . 60.31 110.858 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.75 22.26 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 53.32 112.368 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -43.53 127.71 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.077 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.719 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.7 45.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.26 146.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.919 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 33.2 m-85 -126.0 139.95 53.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 61.01 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.53 ' CG1' HD11 ' A' ' 33' ' ' ILE . 7.3 mm -127.71 76.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.43 111.143 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.5 ttmt -79.33 121.89 25.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.897 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 84.12 -13.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.858 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.34 45.37 1.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 73.23 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.98 -87.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 65.45 111.107 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -177.52 102.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.03 -34.62 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 63.32 111.065 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 87' ' ' PHE . 1.5 m-20 159.62 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.855 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.05 171.9 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 70.22 110.873 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 42.1 t -141.7 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.111 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.12 131.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 42.2 111.1 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.59 46.17 2.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 63.51 112.435 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.515 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -159.43 18.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 60.15 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.504 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.2 mpt_? -123.87 100.94 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 73.24 110.881 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 7.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.409 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -129.17 -5.44 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.0 110.887 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 1.9 t0 -112.85 -19.0 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 52.53 110.835 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 50' ' ' PHE . 33.3 tp -80.67 -72.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 72.53 110.901 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.734 ' H ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.84 -16.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.918 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.733 ' O ' HG22 ' A' ' 110' ' ' VAL . 7.3 t30 -85.26 -30.14 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 112' ' ' HIS . 11.0 m -83.08 -40.41 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.106 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.576 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -61.27 -24.69 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 75.04 111.196 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 107' ' ' ASN . 34.3 m -78.6 -29.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.04 111.106 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.47 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -81.58 -27.74 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.907 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.801 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.1 m-70 -101.35 -46.71 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.829 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -95.97 -29.5 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.44 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.2 -12.18 83.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 41.5 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 72.22 111.105 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.878 0.371 . . . . 73.35 110.898 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.5 19.73 5.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 73.1 112.482 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.927 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -103.19 177.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 43.52 111.16 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.849 HG22 ' HA ' ' A' ' 51' ' ' ALA . 29.3 m -53.06 95.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 70.35 111.089 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 23.8 mm -44.27 168.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 55.13 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.667 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -143.57 81.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.02 111.068 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.0 -179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.91 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 178.98 28.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.853 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.6 p-10 174.56 27.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.9 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.6 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 63.94 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.895 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -29.84 -40.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.51 110.844 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -79.46 -42.21 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.916 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.27 -39.17 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.927 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -69.09 -32.51 71.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.89 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.19 -16.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 52.13 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -106.22 -52.64 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.895 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.44 -24.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.867 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.63 -25.06 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.125 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -83.55 27.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.875 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.31 -44.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.11 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -40.05 80.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 64.12 110.898 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.1 -43.28 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.897 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.06 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.14 111.127 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.46 35.8 7.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 65.34 112.507 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.7 ptpt -134.15 155.44 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 72.03 110.958 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -67.59 163.49 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 50.8 t -114.47 144.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.891 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.01 97.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.096 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.28 125.4 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 53.52 111.156 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -103.02 96.71 6.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.892 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.639 ' C ' HG22 ' A' ' 36' ' ' THR . 50.4 m-85 -61.3 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 62.41 110.89 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 41.5 111.119 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 72.04 110.872 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -79.53 -40.84 28.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.839 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.8 tt -105.04 9.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.21 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.7 -54.89 48.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.544 0.688 . . . . 42.53 111.095 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.8 4.25 2.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 70.11 112.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.2 t -98.74 -48.6 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.111 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.767 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.9 m-30 -63.33 -72.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.849 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.849 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.9 -48.23 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 62.11 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -64.29 -31.49 72.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 61.3 110.86 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.656 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -70.64 -46.32 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.887 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.24 -44.36 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 70.45 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.927 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.8 mtpp -76.78 -41.29 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 65.4 110.935 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.2 mtmt -55.65 -28.29 54.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 70.41 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.3 m-85 -114.48 89.19 17.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 75.44 110.881 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -6.15 17.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.43 112.337 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.01 19.68 40.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 71.34 112.505 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.908 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.88 162.67 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 74.32 111.077 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.508 HG12 ' HD2' ' A' ' 29' ' ' LYS . 27.2 m -94.78 -33.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 53.04 111.149 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.908 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 56.25 160.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.879 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.03 150.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 65.21 110.917 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -118.36 131.85 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.42 110.924 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.837 HG12 HG22 ' A' ' 33' ' ' ILE . 2.5 p -119.19 149.76 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 64.41 111.154 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 70' ' ' LEU . 9.9 t0 -101.87 120.47 40.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 71.54 110.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.955 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.7 m -88.13 37.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 40.41 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -131.01 -24.19 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 54.31 110.819 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD22 ' A' ' 70' ' ' LEU . 2.0 pp20? -114.15 -35.05 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.909 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -125.63 26.59 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -31.67 -30.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.906 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -38.58 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.856 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.538 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 19.0 t -86.96 -36.69 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.11 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.955 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -74.07 -11.4 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.096 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.56 -20.41 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.14 -27.88 35.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.857 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.722 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.0 m-30 -99.44 -14.79 18.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 5.9 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.21 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.561 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.598 0.713 . . . . 75.22 110.882 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.74 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.248 . . . . 72.51 112.377 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.23 123.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.149 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -86.75 64.22 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 61.45 110.887 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.808 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -51.64 145.57 8.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 52.52 110.867 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 42.6 m-85 -123.51 135.48 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.856 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.722 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 7.1 mm -121.74 76.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.14 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.953 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpt -77.86 121.44 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.908 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 8.1 t0 84.62 -17.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.24 110.816 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.26 44.52 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.713 . . . . 40.23 112.484 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.34 -86.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 73.22 111.087 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -174.23 106.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.889 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.953 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.27 -30.51 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 41.4 111.134 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 156.82 -178.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.31 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.808 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.11 -170.43 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.41 110.914 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.819 HG12 ' N ' ' A' ' 98' ' ' VAL . 41.5 t -162.48 -98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.819 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.74 125.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.139 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.22 48.1 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.498 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.23 13.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.01 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -127.51 113.96 16.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 62.41 110.827 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.19 4.53 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.11 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 18.0 t70 -123.09 -7.52 8.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 55.33 110.83 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.77 -23.47 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.869 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 109' ' ' ILE . 23.7 tp -74.35 -77.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.88 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.21 -24.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.939 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 m-80 -75.2 -36.34 61.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 54.22 110.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.633 HG21 ' CE1' ' A' ' 87' ' ' PHE . 11.5 m -79.11 -37.52 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.196 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.569 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -65.22 -26.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 72.03 111.11 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.0 m -79.03 -28.63 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 54.21 111.097 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.452 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -81.6 -26.17 35.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.842 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.891 ' HB3' HG21 ' A' ' 30' ' ' VAL . 25.3 m-70 -103.59 -47.8 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.3 110.895 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -94.12 -30.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.4 -11.0 85.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 74.41 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 64.11 111.072 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.918 0.389 . . . . 74.24 110.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.73 22.14 5.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 54.22 112.491 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.77 176.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 74.25 111.138 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.9 m -50.56 96.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 111.135 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 32.8 mm -42.2 166.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.76 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -145.98 75.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 63.12 111.068 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 17.0 p -75.65 -168.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 73.03 110.863 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 175.09 30.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 55.31 110.839 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.88 21.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 51.12 110.866 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.623 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 67.24 -68.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.89 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.557 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -24.76 -46.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.899 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -80.62 -44.22 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.879 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -50.56 -41.99 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.88 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -64.74 -37.69 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.82 -22.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 63.4 111.137 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.69 -51.3 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 71.51 110.897 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.51 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.4 -17.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.865 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.55 -20.87 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.182 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -82.79 20.5 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.925 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 29' ' ' LYS . . . -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.52 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -68.01 -47.15 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.873 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -43.59 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 72.22 110.901 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.67 -26.42 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.072 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.89 30.73 22.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 42.44 112.517 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.84 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -122.04 148.91 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 70.22 110.929 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -64.36 162.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 62.02 111.117 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.588 ' N ' HG13 ' A' ' 30' ' ' VAL . 39.8 t -114.82 152.61 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.16 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.5 mp -144.69 94.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.33 111.132 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.006 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -92.68 121.02 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.094 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -100.78 92.64 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.852 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.716 ' O ' HG22 ' A' ' 36' ' ' THR . 54.2 m-85 -65.74 -165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 35' ' ' PHE . 1.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.168 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 74.44 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -76.18 -45.78 31.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -104.33 9.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.45 111.118 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.671 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -55.32 -55.34 40.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 63.51 111.066 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.2 Cg_endo -69.71 4.5 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.718 2.279 . . . . 73.45 112.365 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.635 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.6 t -100.48 -48.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.53 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -61.71 -71.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 54.14 110.822 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -51.06 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.42 111.072 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.7 pt-20 -59.69 -30.77 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.1 m-30 -73.54 -47.45 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.933 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.49 -42.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 55.13 111.103 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.8 mtpp -77.77 -39.95 42.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 7.2 mtmt -55.4 -31.34 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 70.33 110.93 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.642 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.4 m-85 -110.24 90.19 9.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 75.02 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.2 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 65.55 112.348 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.805 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.96 21.45 44.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.485 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.872 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.74 163.79 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 44.3 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 29' ' ' LYS . 15.0 m -96.85 -35.09 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.41 111.157 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.872 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 91.5 m-85 57.02 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 60.45 110.935 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.006 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 164.17 149.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.902 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.18 133.64 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.55 110.856 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.738 HG23 HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -132.99 160.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 63.42 111.116 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -109.28 119.42 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.629 HG12 ' CD1' ' A' ' 35' ' ' PHE . 11.5 m -76.84 36.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 66' ' ' ASP . 33.7 t0 -128.08 -21.97 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.475 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -109.84 -38.98 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.02 110.871 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -127.65 21.71 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.41 110.899 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.85 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.847 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.2 pt-20 -34.7 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 55.41 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 63.1 t -78.34 -47.12 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.673 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -62.35 -32.14 72.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 70.41 111.089 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.55 -26.28 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.566 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -75.97 -29.6 58.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.612 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.3 m-85 -95.83 -24.33 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.45 110.912 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 6.4 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 71.14 110.869 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.522 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 121.569 0.699 . . . . 64.1 110.916 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.4 Cg_endo -69.75 37.67 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 62.01 112.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.6 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -55.63 129.56 39.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.124 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.702 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -86.13 41.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.881 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -33.97 146.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 71.2 110.914 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.694 ' H ' HD13 ' A' ' 86' ' ' LEU . 29.9 m-85 -123.61 156.53 35.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.843 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -142.25 80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 73.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.707 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -81.28 120.36 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.933 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 6.1 t0 82.88 -9.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.832 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.9 43.26 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 30.34 112.459 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.54 -90.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.315 . . . . 33.5 111.09 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD11 ' A' ' 86' ' ' LEU . 20.2 tt0 -174.66 99.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -79.96 -35.79 37.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.061 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 87' ' ' PHE . 4.3 m-20 161.26 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.851 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.871 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.35 171.82 13.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.908 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 98' ' ' VAL . 65.0 t -144.39 -101.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 45.04 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 169.22 139.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.179 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -87.45 42.84 3.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 60.03 112.468 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.68 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.38 12.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.308 . . . . 73.22 111.108 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.445 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -122.18 116.89 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.887 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -92.86 13.77 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.934 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.95 -3.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.22 -30.92 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 10.0 tp -61.64 -72.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 60.11 110.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.771 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.73 -34.91 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 42.43 110.913 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 110' ' ' VAL . 6.2 t30 -66.02 -29.34 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.865 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.587 HG21 ' CE1' ' A' ' 87' ' ' PHE . 16.4 m -84.23 -44.49 13.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.53 111.147 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.1 mp -58.6 -25.89 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.4 m -79.28 -29.09 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.51 111.159 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.439 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 2.0 ptmt -81.25 -27.68 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 51.25 110.867 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.624 ' HB3' HG21 ' A' ' 30' ' ' VAL . 23.1 m-70 -101.73 -47.46 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.12 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -94.7 -30.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.129 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.03 -10.15 86.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 42.5 112.48 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 73.32 111.097 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.772 0.32 . . . . 63.21 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -121.97 -18.61 6.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 61.45 111.099 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.58 39.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 63.43 111.124 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' ALA . 3.3 tm-20 60.4 93.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.914 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.1 mm-40 -92.47 -155.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 63.52 110.85 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.27 31.35 3.8 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 44.43 112.468 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.924 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -109.83 -178.45 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 74.14 111.118 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.825 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 28.4 m -52.95 95.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.11 111.16 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.0 mm -43.39 168.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.115 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -138.73 60.04 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.33 111.106 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -47.48 159.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 71.23 110.843 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 37.0 m80 -165.26 36.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.52 110.845 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.3 p-10 -178.77 26.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 42.55 110.873 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.663 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.9 -69.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.904 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.61 -46.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.21 110.87 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.93 -39.71 66.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 62.21 110.883 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.31 -39.83 73.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 55.24 110.891 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.574 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.51 -40.6 80.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 64.22 110.871 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.87 -22.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 42.32 111.1 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' LYS . 17.6 mp0 -105.24 -54.34 2.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.438 . . . . 62.51 110.922 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -46.31 -25.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 62.1 110.888 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.431 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.07 -25.21 19.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 71.31 111.106 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.5 mttm -82.86 22.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.23 110.883 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -120.08 -45.74 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.42 111.078 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -42.14 85.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 73.23 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -86.89 -39.41 15.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 64.03 110.872 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -64.34 -31.25 72.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.33 111.078 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 36.26 7.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 54.02 112.432 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.5 ptpt -136.32 157.37 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 65.13 110.877 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.31 163.08 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.118 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.594 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -113.36 143.36 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.13 111.126 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.878 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.3 mp -141.32 97.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 60.14 111.128 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.936 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -99.05 128.18 50.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 71.22 111.111 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 4.3 t0 -101.85 89.06 3.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.828 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.717 ' CD2' HG11 ' A' ' 79' ' ' VAL . 32.3 m-85 -61.73 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 55.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.859 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 161.71 136.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.12 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . -69.01 -66.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 64.33 111.091 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.06 -34.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 50.54 110.876 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.431 ' C ' ' SG ' ' A' ' 40' ' ' CYS . 4.3 m-90 -92.94 -37.75 12.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.4 110.889 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.431 ' SG ' ' C ' ' A' ' 39' ' ' TRP . 2.0 m 77.78 -59.0 0.46 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.43 . . . . 60.43 110.887 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 130.73 -104.72 0.61 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 25.21 112.516 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 44' ' ' ARG . 53.3 Cg_endo -69.82 -52.44 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.7 2.267 . . . . 64.01 112.287 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' PRO . 0.7 OUTLIER 35.02 31.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 73.22 110.849 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 42' ' ' PRO . 10.9 mtt180 -158.43 -48.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.42 110.864 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -66.6 -43.12 85.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 73.35 110.871 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.09 8.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 63.53 111.115 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.669 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -55.94 -55.2 43.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 70.44 111.091 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.669 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.74 4.23 2.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.711 2.274 . . . . 62.24 112.372 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.8 t -98.78 -49.08 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 63.54 111.092 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.7 m-30 -63.16 -71.92 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 54.34 110.87 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.822 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.03 -48.98 11.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 64.01 111.079 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -63.25 -31.45 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 75.42 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -70.83 -44.99 65.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.911 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.18 -43.42 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 63.23 111.087 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.924 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.3 mtpp -78.65 -42.06 29.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 75.41 110.912 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 6.8 mtmt -54.01 -27.42 31.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 64.35 110.872 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.543 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.2 m-85 -115.27 90.3 23.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.21 110.903 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -5.56 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 72.45 112.348 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.802 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.43 20.07 43.34 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 33.43 112.485 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.902 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.51 164.64 34.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 32.33 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.495 HG12 ' HD2' ' A' ' 29' ' ' LYS . 30.7 m -97.38 -36.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 61.02 111.109 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.902 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.0 m-85 58.31 152.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.85 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.936 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 170.48 149.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.96 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.665 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -124.1 133.36 53.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 62.14 110.889 179.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -127.92 167.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 53.24 111.118 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.3 t0 -113.77 122.3 46.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.836 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.859 HG22 ' O ' ' A' ' 36' ' ' THR . 6.2 m -82.56 34.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.138 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 -18.36 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.886 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -118.68 -32.56 4.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.43 110.88 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.61 23.61 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.9 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.67 -34.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.949 179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -36.13 -28.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 70.34 110.873 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 70' ' ' LEU . 28.4 t -78.16 -44.79 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.14 111.104 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -68.31 -33.18 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.111 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.06 -23.36 66.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 70.32 110.854 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.53 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -80.22 -32.62 38.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 71.53 110.895 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.552 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.0 m-85 -96.35 -16.0 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 71.22 110.902 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 72.75 72.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 75.12 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -105.59 -31.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 35.22 111.09 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.3 OUTLIER 86.22 -70.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 63.51 110.838 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 169.11 97.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 54.51 111.079 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.519 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 174.93 168.69 0.34 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.544 0.688 . . . . 74.21 110.903 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.5 Cg_endo -69.82 36.31 0.23 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.641 2.227 . . . . 65.41 112.331 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.621 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -58.88 120.28 8.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.118 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.645 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -81.78 40.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.15 110.866 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.12 142.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 64.13 110.946 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.2 m-85 -118.62 155.01 31.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.907 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -139.34 74.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 75.1 111.144 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.725 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 11.3 ttmt -76.68 123.55 26.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 74.01 110.874 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 1.9 t70 81.49 -6.98 1.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.35 110.871 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.97 43.2 3.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 75.33 112.501 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.67 -86.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 42.14 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -177.6 103.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 70.11 110.913 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.48 -33.92 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 51.21 111.12 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.18 179.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.86 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.63 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -133.38 170.1 15.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 71.21 110.937 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 34.3 t -141.44 -95.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.41 111.135 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 159.32 144.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 72.01 111.124 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -91.9 49.23 2.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 63.11 112.47 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.537 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.5 14.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 74.02 111.112 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 7.8 mpt_? -127.0 110.43 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.838 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.453 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -83.06 7.2 16.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 62.4 110.91 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -126.59 -8.21 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.851 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -108.74 -18.86 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.2 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.4 tp -78.72 -75.53 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 62.23 110.951 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.773 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.86 -18.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 75.3 110.912 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.707 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.9 t30 -80.24 -33.75 37.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.88 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.514 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -81.6 -40.54 22.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.146 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.543 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -60.86 -26.44 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.43 111.151 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.773 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.5 m -78.24 -29.63 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 71.4 111.153 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -80.39 -27.9 38.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.919 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.79 ' HB3' HG21 ' A' ' 30' ' ' VAL . 23.7 m-70 -101.29 -47.9 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.54 110.827 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.802 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -93.99 -31.45 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 50.51 111.112 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.52 72.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.525 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 54.92 14.8 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 63.45 111.054 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -133.95 -32.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 73.5 111.143 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.76 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 53.39 86.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 71.05 111.092 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.55 55.63 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 62.35 111.102 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.84 89.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 71.01 110.856 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 56.29 168.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 64.45 111.094 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t -136.11 -45.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.091 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 mtt . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.829 0.347 . . . . 74.15 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 51.82 -99.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 65.54 111.162 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 72.14 69.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 34.5 111.107 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 50.5 98.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 75.33 110.914 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.409 ' OE1' ' O ' ' A' ' 2' ' ' ALA . 2.0 mm-40 -103.73 -153.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.884 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.6 27.51 4.21 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 71.51 112.443 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.981 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -107.43 178.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 75.21 111.131 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 51' ' ' ALA . 32.6 m -50.89 94.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.35 111.142 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' ' 10' ' ' ALA . 22.6 mm -42.36 167.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.12 111.145 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.692 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -140.73 79.02 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 61.11 111.104 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 26.3 p -68.29 177.42 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.896 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.89 27.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 72.14 110.851 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -174.8 27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.898 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.83 ' H ' HD13 ' A' ' 70' ' ' LEU . 3.6 ttmt 66.59 -67.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 64.22 110.894 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -27.32 -43.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.891 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -81.75 -44.13 17.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.895 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.91 -35.78 46.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 64.52 110.882 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.607 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.3 -45.46 69.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.852 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.93 -23.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.44 111.08 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.445 ' NE2' HG13 ' A' ' 9' ' ' ILE . 2.0 mp0 -104.85 -51.08 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.864 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.555 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.95 -31.08 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.917 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -92.13 -19.89 21.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 64.12 111.18 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -82.84 23.59 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 74.04 110.882 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -123.5 -51.13 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 65.52 111.037 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -60.03 -51.0 71.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 71.33 110.851 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.7 -44.96 72.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.44 110.924 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.588 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.7 -26.63 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 62.3 111.105 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.65 34.18 16.83 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.695 -0.764 . . . . 33.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.651 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -127.2 161.18 29.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 71.21 110.904 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -74.02 161.4 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.42 111.132 179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.615 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 53.1 t -116.48 150.13 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.09 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.855 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.41 94.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 73.1 111.102 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.833 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -95.65 127.06 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 71.21 111.111 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -100.76 93.62 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.851 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 1.017 ' CE2' HG11 ' A' ' 79' ' ' VAL . 31.4 m-85 -64.65 -167.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 64.01 110.838 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.698 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 162.8 139.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 64.5 111.201 -179.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -83.31 -63.81 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 53.1 111.085 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.8 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 63.11 110.837 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 15.4 p90 -105.97 -49.69 3.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 65.44 110.935 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.53 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 7.9 t -64.79 104.2 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 72.12 110.843 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.81 122.56 1.07 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 74.3 112.521 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -50.91 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.694 2.263 . . . . 71.12 112.389 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 4.2 t 50.52 20.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.908 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -136.81 -54.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 74.55 110.811 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -68.24 -42.3 79.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 65.23 110.927 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.0 tt -104.02 10.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 71.52 111.121 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.49 -54.83 49.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.609 0.719 . . . . 55.14 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.77 3.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.2 112.323 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.655 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.3 t -98.24 -48.09 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.22 111.129 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.0 m-30 -63.98 -72.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 53.44 110.865 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.848 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -43.89 -49.29 8.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 65.22 111.077 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -62.71 -33.44 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.857 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.655 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.3 m-30 -69.16 -44.8 71.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.913 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.82 -43.03 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 63.43 111.128 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.981 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.0 mtpp -78.96 -42.96 25.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.922 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -54.15 -25.29 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 72.23 110.86 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 14.3 m-85 -117.73 89.07 32.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 74.52 110.866 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.07 17.72 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 63.41 112.344 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.76 19.81 42.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 74.53 112.517 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.903 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.88 168.1 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 74.01 111.123 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.651 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.1 m -101.16 -34.01 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 52.31 111.113 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.903 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 55.93 161.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 60.34 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.833 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.22 147.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.925 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.692 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -116.26 132.29 56.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.909 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.812 ' CG2' HD21 ' A' ' 70' ' ' LEU . 14.7 p -121.97 161.22 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 61.21 111.127 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 t0 -116.26 113.02 22.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.86 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 67' ' ' VAL . 2.6 m -78.63 39.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.32 111.153 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.92 -21.62 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.15 110.851 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -115.64 -35.31 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.937 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.83 HD13 ' H ' ' A' ' 14' ' ' LYS . 1.9 pt? -126.99 24.83 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 70.03 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 74.04 110.93 179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.5 pt-20 -33.56 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.895 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -74.51 -47.55 39.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.115 -0.493 . . . . 65.31 111.107 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.729 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -65.8 -24.52 66.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 70.44 111.099 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -72.84 -19.43 61.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -86.67 -29.18 22.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 75.23 110.86 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.65 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.7 m-30 -98.71 -14.99 19.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.45 110.916 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 65.69 69.76 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 74.53 110.909 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.017 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.1 m -101.6 -23.99 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.095 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.62 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.2 OUTLIER 88.98 -72.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.863 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 166.71 60.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 61.14 111.095 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.54 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -142.14 170.61 8.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.572 0.701 . . . . 72.13 110.881 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.54 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.79 21.3 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 73.32 112.371 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -46.11 128.76 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 65.03 111.138 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -89.1 43.84 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.892 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.58 140.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.33 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.638 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 27.7 m-85 -120.33 143.68 48.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.14 110.862 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.764 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -128.7 82.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 62.41 111.172 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.917 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -83.89 122.56 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.904 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.8 t70 82.4 -10.23 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 70.3 110.848 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.23 48.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.451 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -153.0 -85.47 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.734 0.302 . . . . 33.42 111.094 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -176.34 107.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.42 110.875 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.95 -32.51 16.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 54.12 111.102 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.0 m-20 157.83 179.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 71.13 110.884 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.87 -176.05 3.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.921 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.832 HG12 ' N ' ' A' ' 98' ' ' VAL . 30.2 t -155.88 -94.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 62.14 111.116 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.832 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 160.04 133.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 72.25 111.069 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -85.71 45.91 3.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 74.2 112.463 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.538 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.48 18.19 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 74.45 111.102 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -128.58 115.35 17.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 65.34 110.894 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.439 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 8.84 20.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.11 110.882 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.425 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 30.3 t70 -124.83 -10.96 7.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.872 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.487 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -107.02 -21.7 12.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 71.32 110.914 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 109' ' ' ILE . 30.3 tp -77.41 -76.63 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.935 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.79 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.38 -20.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.1 110.93 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.724 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.98 -34.47 33.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.874 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 97' ' ' VAL . 20.8 m -80.1 -41.07 26.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 71.12 111.151 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.545 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.16 -26.78 40.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.4 111.151 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.79 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.5 m -78.84 -28.69 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 45.43 111.148 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.596 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -81.3 -28.6 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 65.23 110.9 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.758 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.1 m-70 -100.97 -45.0 5.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.888 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -97.0 -30.38 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.43 111.14 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -87.46 -11.64 68.57 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 54.22 112.492 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.493 ' O ' ' CB ' ' A' ' 116' ' ' THR . . . 53.99 105.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 73.22 111.106 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.7 m 84.6 64.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.13 111.097 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.596 ' HB2' ' CB ' ' A' ' 111' ' ' LYS . . . -31.54 119.4 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 53.33 111.072 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -36.94 -51.63 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 70.2 111.115 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 m 62.28 89.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.52 110.836 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 122' ' ' ALA . . . -147.18 148.85 31.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 72.13 111.106 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 54.6 m 46.18 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.832 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 74.11 111.08 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.784 0.325 . . . . 74.21 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -104.61 -14.8 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.31 111.063 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.93 43.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 44.42 111.087 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' CG ' HD12 ' A' ' 9' ' ' ILE . 1.4 tt0 58.08 89.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.89 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 3.7 mm-40 -88.92 -157.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 60.44 110.902 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.3 26.91 4.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.41 112.466 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 175.91 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 70.21 111.119 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.5 m -50.34 96.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 64.55 111.103 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.619 HG22 ' N ' ' A' ' 10' ' ' ALA . 21.4 mm -46.2 167.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 62.51 111.153 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.23 83.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 72.11 111.125 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 23.3 p -67.37 179.42 1.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 74.41 110.866 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 17.6 m-70 -177.15 37.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 71.43 110.855 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.509 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 176.57 24.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.53 110.89 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER 66.88 -67.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.873 179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -27.95 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 74.5 110.874 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -80.12 -44.44 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 63.43 110.862 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.11 -35.82 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.02 110.865 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 2.3 m-20 -73.2 -33.72 65.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.846 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.24 -22.62 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.096 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -102.18 -51.7 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.893 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.455 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.36 -19.3 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 61.15 110.878 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.11 -19.09 15.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 62.41 111.202 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -82.42 19.95 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 71.03 110.898 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.672 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.26 -45.78 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 65.12 111.132 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -62.69 -48.63 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -72.22 -47.37 50.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 75.41 110.868 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -64.19 -27.48 69.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 64.41 111.11 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.4 35.73 11.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 60.14 112.516 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.789 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -128.0 158.29 38.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 71.45 110.925 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -70.13 161.94 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 75.13 111.144 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.672 HG23 ' CB ' ' A' ' 24' ' ' ALA . 19.9 t -116.9 149.03 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 65.31 111.142 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.2 mp -143.26 95.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 64.54 111.152 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.826 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -94.98 129.78 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 70.4 111.111 179.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.31 92.81 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.855 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.878 ' CD2' HG11 ' A' ' 79' ' ' VAL . 43.4 m-85 -65.97 -167.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.914 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.933 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER 164.83 142.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.42 111.145 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.521 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -83.53 -64.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 53.25 111.091 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -170.92 -43.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.823 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -77.81 -59.56 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.963 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.0 t 76.37 157.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 60.24 110.919 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.67 -114.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 65.42 112.508 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.437 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 53.4 Cg_endo -69.83 -61.54 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.683 2.255 . . . . 22.34 112.298 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.952 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.6 OUTLIER 76.95 -42.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 64.34 110.844 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -100.76 -32.67 10.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 71.13 110.872 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HB3' ' HB2' ' A' ' 42' ' ' PRO . 34.2 t80 -69.93 -42.35 73.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 71.41 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.784 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 2.4 tt -105.92 10.95 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 64.31 111.12 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.952 ' HB2' ' O ' ' A' ' 43' ' ' CYS . . . -57.79 -55.79 41.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 61.54 111.107 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.75 4.98 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 72.21 112.346 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.707 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 11.4 t -99.2 -48.66 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.31 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.784 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.7 m-30 -63.66 -72.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.862 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.834 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.1 -48.86 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.115 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.54 -33.41 74.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 72.11 110.916 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.707 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.8 m-30 -69.2 -46.01 68.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 73.04 110.923 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.81 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.77 -44.06 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 53.43 111.126 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.89 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.0 mtpp -77.13 -43.21 34.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.6 mtmt -54.7 -25.52 27.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.907 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.555 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.6 m-85 -117.08 87.75 24.21 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.653 0.74 . . . . 72.14 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -4.91 14.97 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.241 . . . . 60.24 112.403 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.76 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 18.84 51.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 70.24 112.497 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.851 ' HB1' ' CD1' ' A' ' 32' ' ' ILE . . . -145.31 171.31 14.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.35 . . . . 74.13 111.129 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.789 HG12 ' HD3' ' A' ' 29' ' ' LYS . 10.6 m -104.02 -34.52 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 71.01 111.129 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.1 m-85 55.96 160.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.92 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.813 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.77 147.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.921 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -120.21 135.88 54.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.909 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.74 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.2 165.66 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 74.53 111.148 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.655 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 t0 -114.58 115.73 27.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 60.13 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.933 HG22 ' O ' ' A' ' 36' ' ' THR . 4.3 m -80.13 38.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 53.45 111.072 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -128.93 -22.29 3.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.852 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' OE2' ' N ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -115.82 -33.0 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.891 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -128.41 20.73 6.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.885 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.49 -35.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 72.21 110.892 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.5 pt-20 -34.33 -31.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.914 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 71' ' ' LYS . 76.4 t -76.36 -46.74 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 64.35 111.087 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.652 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -64.58 -33.06 75.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 51.24 111.083 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.98 -24.5 67.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 61.33 110.911 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.44 -31.61 54.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.885 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.616 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.9 m-85 -98.51 -14.72 19.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.897 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 69.4 69.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.929 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.878 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.9 OUTLIER -98.88 -29.43 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.31 111.086 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.611 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.1 mm-40 91.89 -72.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.874 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.657 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 167.14 58.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 60.52 111.116 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.57 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -143.8 171.36 6.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 64.3 110.859 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 54.1 Cg_endo -69.76 22.66 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.234 . . . . 53.34 112.41 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.1 128.24 5.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.193 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.645 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -88.71 40.94 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.14 110.911 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.51 142.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 73.52 110.899 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.645 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 19.9 m-85 -120.02 152.78 37.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.1 110.871 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.826 HG12 HD11 ' A' ' 33' ' ' ILE . 4.8 mm -137.71 77.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 64.14 111.16 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttpt -78.56 123.73 27.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.12 110.882 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.1 t0 81.61 -12.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 65.31 110.89 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.0 44.5 1.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.25 112.524 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.73 -87.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.72 0.295 . . . . 45.34 111.131 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -175.72 107.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 54.32 110.836 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -90.85 -32.52 16.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 62.32 111.129 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.69 178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.853 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.21 174.47 10.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.874 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.839 ' O ' HG23 ' A' ' 98' ' ' VAL . 50.1 t -146.53 -98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.13 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 166.92 135.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 63.0 111.099 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.23 43.42 3.13 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 63.31 112.512 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.33 14.62 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.769 0.318 . . . . 72.34 111.084 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -123.46 113.0 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 61.43 110.867 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.417 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.4 4.65 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.25 110.911 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.432 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 14.4 t70 -125.92 -7.9 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.891 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -108.82 -18.46 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.44 110.865 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 50' ' ' PHE . 35.0 tp -80.34 -75.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.11 110.949 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.739 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -47.85 -19.55 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 71.32 110.916 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.4 OUTLIER -79.46 -34.55 41.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.15 110.881 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 87' ' ' PHE . 2.6 m -80.52 -38.05 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.23 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -63.34 -26.27 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 63.41 111.077 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.736 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.0 m -79.13 -30.45 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.25 111.082 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.3 OUTLIER -79.09 -28.2 43.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.873 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.787 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.8 m-70 -101.51 -47.2 4.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 72.23 110.816 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.6 t -94.51 -30.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.24 111.139 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.407 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.68 -17.72 74.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 52.11 112.446 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 116' ' ' THR . . . 52.73 15.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 50.45 111.103 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 117' ' ' ALA . 0.9 OUTLIER -158.77 52.84 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 75.01 111.151 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.694 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . -32.35 147.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 73.24 111.088 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.16 -67.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 64.11 111.087 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.5 t -88.74 -50.56 6.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 63.23 110.859 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.611 ' HB3' ' HB1' ' A' ' 117' ' ' ALA . . . -38.3 -60.89 0.73 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 74.04 111.127 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 2.2 t 68.33 39.31 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 72.14 110.907 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 121' ' ' SER . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 71.43 111.097 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.772 0.32 . . . . 64.25 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.66 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . -77.56 -97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 72.11 111.111 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 81.57 51.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 72.41 111.104 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 57.7 90.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.85 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.62 -149.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 73.21 110.923 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.57 30.5 4.51 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.521 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.944 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.4 m -110.04 -179.06 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.873 0.368 . . . . 71.32 111.132 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.829 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 26.9 m -51.8 95.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 43.22 111.146 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.614 HG22 ' N ' ' A' ' 10' ' ' ALA . 30.2 mm -42.06 165.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.138 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.624 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -135.94 60.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.03 111.123 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.529 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 160.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 72.45 110.842 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -167.1 35.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.84 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.572 ' C ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.1 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.51 110.914 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.584 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.62 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.907 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.34 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 61.44 110.899 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -81.19 -42.64 20.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.86 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.38 -39.38 64.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.853 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.6 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -68.74 -39.27 80.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.88 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.73 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.04 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ASP . 1.2 mp0 -107.22 -52.15 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.86 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.57 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.97 -25.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 72.15 110.861 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.64 -23.13 19.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 65.45 111.122 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 5.2 mttm -84.19 27.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.829 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -126.89 -45.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.31 111.116 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -40.21 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.898 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.14 -39.9 15.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 71.44 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.57 -30.28 70.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 64.21 111.113 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.45 35.48 8.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 42.52 112.536 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -133.24 158.99 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 65.3 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.774 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -71.36 160.83 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 65.12 111.141 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.597 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.2 t -113.0 146.45 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.15 111.111 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.858 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.87 96.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.149 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.18 127.53 48.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.55 111.167 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.602 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t70 -102.43 84.69 2.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.936 ' CE2' HG11 ' A' ' 79' ' ' VAL . 29.6 m-85 -56.22 -167.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.51 110.919 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 164.38 129.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.34 111.096 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -67.06 -79.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 44.04 111.129 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.72 -40.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.861 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -124.74 -52.43 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 62.25 110.895 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -38.16 108.87 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 74.13 110.909 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.22 143.81 4.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 75.15 112.429 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.04 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.261 . . . . 65.1 112.311 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m 48.76 31.22 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.889 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.559 ' CG ' ' N ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -155.32 -62.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 64.53 110.888 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' N ' ' CG ' ' A' ' 44' ' ' ARG . 81.6 t80 -56.27 -42.4 77.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.843 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.29 10.97 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.118 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.662 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.21 -54.8 50.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 73.12 111.088 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.662 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.78 4.82 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.248 . . . . 75.43 112.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.5 t -99.55 -48.46 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 65.25 111.069 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.23 -71.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.86 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -49.27 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.11 111.104 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.15 -32.68 73.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.35 110.875 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.9 m-30 -69.91 -45.91 66.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.907 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.829 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.88 -43.8 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 52.03 111.066 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.4 mtpp -78.32 -42.24 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 73.5 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.8 mtmt -55.01 -30.39 59.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.906 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.9 m-85 -110.45 89.1 8.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 72.43 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -2.8 10.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 73.14 112.345 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.762 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.01 19.11 54.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 45.42 112.514 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.925 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.37 163.77 37.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 24.45 111.126 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 23' ' ' LYS . 28.2 m -95.55 -37.37 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 65.24 111.111 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.925 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.9 m-85 58.93 150.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.41 110.885 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.6 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 175.4 151.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 71.03 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.48 127.69 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.89 179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -123.81 166.56 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 63.04 111.138 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.804 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.8 t0 -110.45 120.6 42.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.899 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' A' ' 74' ' ' ALA . 21.9 m -82.58 34.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.23 111.079 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -125.86 -19.26 4.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 54.43 110.848 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.554 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 8.8 pt-20 -117.06 -33.09 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.23 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.25 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.938 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.3 -34.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.879 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.5 pm0 -35.88 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 74.11 110.917 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 ' CE2' ' A' ' 17' ' ' PHE . 57.7 t -79.75 -44.97 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 62.45 111.091 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -69.15 -35.28 76.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 45.54 111.125 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -62.72 -26.57 68.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 60.3 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -77.66 -34.03 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.874 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.5 m-85 -93.52 -13.12 28.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.927 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 65.31 69.82 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 71.3 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.936 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -103.2 -23.03 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.11 111.114 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.608 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.5 mm-40 89.07 -72.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 74.04 110.869 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.618 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 166.44 59.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.095 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.556 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -141.16 170.67 8.87 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.514 0.673 . . . . 75.34 110.9 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.71 21.92 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.721 2.281 . . . . 62.23 112.346 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.7 HG22 ' H ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -44.77 128.75 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 64.03 111.155 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.63 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -86.35 38.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.7 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.55 143.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.921 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.63 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -120.75 157.21 30.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 63.04 110.836 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.799 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -142.03 75.01 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 73.14 111.118 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.803 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttpt -77.34 122.01 24.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.903 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 83.69 -13.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.887 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.55 42.94 1.92 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 74.34 112.504 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.68 -88.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.31 . . . . 54.21 111.086 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -174.43 104.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.2 110.883 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.91 -33.48 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 45.22 111.106 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 158.05 179.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.682 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.47 171.78 13.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.892 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.796 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.5 t -142.83 -95.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 75.22 111.118 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.796 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.17 131.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 73.01 111.17 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -81.08 43.68 2.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 71.21 112.518 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.573 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.37 14.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.744 0.307 . . . . 74.22 111.069 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.3 mpt_? -124.65 113.86 18.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 64.23 110.878 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.81 11.96 16.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 53.5 110.925 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.87 -4.21 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 52.24 110.855 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -112.63 -34.92 5.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 62.03 110.904 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.577 HD22 ' CE1' ' A' ' 50' ' ' PHE . 12.8 tp -60.75 -70.42 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 75.41 110.946 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.829 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -51.76 -22.75 3.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.891 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.673 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.0 OUTLIER -75.92 -30.45 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 52.43 110.91 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.58 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 1.5 m -84.43 -40.72 17.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 73.31 111.145 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.2 mp -61.72 -24.12 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 65.01 111.075 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.829 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.1 m -79.6 -28.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.11 111.116 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 117' ' ' ALA . 1.3 ptmt -81.7 -28.22 33.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 71.45 110.89 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.774 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.4 m-70 -100.37 -48.51 4.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.856 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.762 HG13 ' O ' ' A' ' 59' ' ' GLY . 4.1 t -94.24 -30.83 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 73.02 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -77.97 -9.29 87.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 60.11 112.479 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . 36.73 41.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 61.24 111.103 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 21.3 m -161.91 -34.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 64.31 111.123 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.712 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 52.71 176.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.116 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.79 152.68 50.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 54.41 111.095 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.53 119.42 19.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.44 110.875 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.85 169.13 21.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.22 111.103 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.16 -55.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.859 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.11 111.084 179.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.763 0.316 . . . . 55.31 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.11 -109.75 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 55.11 111.072 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.31 11.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 75.13 111.121 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -179.74 55.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.854 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -90.67 -148.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.905 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.3 24.53 3.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 74.23 112.497 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.935 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -108.44 177.01 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.895 0.378 . . . . 73.24 111.131 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 51' ' ' ALA . 24.9 m -51.41 96.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 52.21 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.653 HG22 ' N ' ' A' ' 10' ' ' ALA . 35.7 mm -42.99 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.15 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.653 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.36 58.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.078 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.575 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.89 162.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 70.42 110.882 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.539 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 9.1 p80 -169.62 33.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.875 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.0 p-10 -174.75 25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 53.1 110.852 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.93 -70.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 71.33 110.917 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -28.99 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.875 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' LYS . 2.3 mt-10 -79.54 -43.56 22.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.827 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.07 -39.45 59.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.851 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -66.86 -45.0 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.836 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -40.49 -24.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 73.35 111.098 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASP . 21.9 mp0 -101.13 -57.61 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.907 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.592 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -45.67 -21.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.906 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.493 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -95.61 -26.91 15.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 63.13 111.14 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 20' ' ' GLN . 9.1 mttt -82.5 22.72 0.83 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 70.24 110.899 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -120.96 -46.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.34 111.077 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -38.57 86.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 73.24 110.874 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -89.28 -41.53 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.882 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 74.31 111.114 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.23 35.6 6.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 63.15 112.488 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.3 ptpt -136.48 155.17 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 62.41 110.865 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.777 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -69.18 163.3 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.15 111.152 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.609 ' N ' HG13 ' A' ' 30' ' ' VAL . 42.2 t -114.37 146.67 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 63.25 111.114 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.852 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.5 96.68 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.128 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.092 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.26 126.77 51.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 44.04 111.145 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 8.7 t0 -100.28 91.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.23 110.857 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 1.111 ' CD2' HG21 ' A' ' 79' ' ' VAL . 12.5 m-85 -61.92 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 64.54 110.894 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.854 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.3 OUTLIER 164.46 141.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 44.31 111.158 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.029 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . . . -76.36 -144.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.13 111.101 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -96.84 -26.49 15.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.54 110.83 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.23 21.1 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 70.12 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.78 104.0 12.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.881 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.49 128.05 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.731 -0.747 . . . . 35.54 112.469 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -51.13 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.698 2.265 . . . . 75.22 112.352 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 41.34 37.85 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 61.03 110.905 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mtm-85 -142.25 -57.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.832 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -69.8 -42.82 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 65.04 110.904 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.769 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -103.53 11.17 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.079 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.23 -54.26 56.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 72.22 111.132 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.79 4.44 2.2 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.686 2.257 . . . . 53.31 112.344 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.609 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.5 t -99.29 -48.27 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 55.22 111.158 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.769 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.1 m-30 -63.79 -71.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 65.44 110.903 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.865 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.07 -48.96 11.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 71.55 111.12 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.3 pt-20 -62.88 -33.04 74.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.914 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.7 m-30 -69.52 -46.46 66.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.821 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.11 -44.15 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 61.43 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.935 ' HD2' HG12 ' A' ' 7' ' ' VAL . 10.4 mtpp -76.43 -39.67 52.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 110.853 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -58.67 -26.86 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.901 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.5 m-85 -114.66 88.44 16.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.687 0.756 . . . . 72.02 110.887 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -4.57 14.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.676 2.251 . . . . 72.05 112.346 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.799 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.37 19.02 49.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.755 -0.736 . . . . 71.52 112.516 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.885 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.31 165.37 32.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 32.05 111.08 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.536 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.6 m -97.87 -35.03 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.159 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.885 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.1 158.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 60.12 110.876 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.092 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 165.58 148.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 61.54 110.908 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.56 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.38 131.78 53.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.898 179.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -126.84 166.02 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 63.1 111.106 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.795 ' O ' HD23 ' A' ' 70' ' ' LEU . 21.3 t0 -111.28 123.03 49.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.888 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.854 HG22 ' O ' ' A' ' 36' ' ' THR . 3.2 m -82.43 33.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.43 111.091 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -126.48 -17.01 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.878 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' OE2' ' HB2' ' A' ' 12' ' ' HIS . 12.3 pt-20 -116.03 -33.57 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.3 110.876 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -128.99 23.14 5.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 62.43 110.923 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.7 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 70.43 110.908 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -34.23 -30.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 61.12 110.891 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 71' ' ' LYS . 48.1 t -81.28 -46.66 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.25 111.102 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 79' ' ' VAL . . . -58.96 -27.51 65.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.064 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -71.9 -32.95 67.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 72.54 110.88 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.528 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -73.87 -31.06 62.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.911 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.585 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 23.0 m-85 -98.69 1.46 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.908 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.419 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.4 t-20 65.14 72.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.34 110.875 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 1.111 HG21 ' CD2' ' A' ' 35' ' ' PHE . 2.3 t -120.23 117.28 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 64.41 111.127 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.501 ' H ' ' HE1' ' A' ' 82' ' ' MET . 2.0 mt-10 -94.28 57.87 2.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 70.21 110.857 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.029 ' HB1' ' HB2' ' A' ' 37' ' ' ALA . . . 54.09 100.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 70.22 111.093 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.501 ' HE1' ' H ' ' A' ' 80' ' ' GLU . 0.7 OUTLIER 178.37 158.71 0.61 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 72.41 110.88 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 54.1 Cg_endo -69.74 18.46 0.19 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.681 2.254 . . . . 75.32 112.369 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -43.33 120.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 70.21 111.158 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -81.68 40.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.857 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.705 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -30.62 141.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.134 -0.484 . . . . 62.02 110.917 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.631 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.9 m-85 -120.09 154.48 34.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.23 110.879 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.852 HG12 HD11 ' A' ' 33' ' ' ILE . 3.7 mm -139.06 79.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 52.41 111.136 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.825 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -81.77 122.65 27.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.879 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.5 t0 82.92 -12.9 0.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 75.31 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.74 47.39 1.38 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 64.21 112.485 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.87 -89.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 55.02 111.028 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -172.36 103.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.886 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.87 -32.76 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 33.15 111.115 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 157.11 179.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.842 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.502 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.77 173.85 11.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 74.25 110.901 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.824 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.7 t -144.0 -97.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.42 111.106 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.824 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.48 125.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 60.15 111.123 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.8 49.13 2.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.788 -0.72 . . . . 63.02 112.508 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -153.01 11.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 52.03 111.101 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 mmt85 -123.59 110.87 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 63.53 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.48 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -80.64 1.0 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.925 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.459 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 21.1 t70 -123.84 -7.1 7.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 75.41 110.844 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -107.32 -18.38 13.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 72.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.668 HD22 ' CE1' ' A' ' 50' ' ' PHE . 39.2 tp -78.88 -74.48 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 75.53 110.928 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.783 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.63 -17.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 62.53 110.903 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.685 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.24 -34.0 37.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.92 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.547 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.3 m -82.07 -37.22 26.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.21 111.137 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.562 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.1 mp -64.42 -25.92 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.2 111.167 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 106' ' ' GLN . 35.1 m -78.27 -29.92 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 71.01 111.152 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -79.7 -28.59 40.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 75.25 110.876 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.777 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.2 m-70 -100.77 -47.84 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.848 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.799 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.6 t -94.22 -30.71 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 65.25 111.157 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.23 -11.16 85.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 73.53 112.487 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.15 37.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 53.12 111.102 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 m -158.75 -35.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 61.45 111.128 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.695 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 56.75 178.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 54.54 111.03 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.98 116.02 22.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.063 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 48.8 m -56.73 145.77 27.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 60.21 110.844 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.97 173.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 61.12 111.079 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.3 t -147.85 -55.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.869 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 72.33 111.131 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 75.3 110.869 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 32.06 -144.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 51.34 111.066 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 78.24 6.65 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 55.13 111.09 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -179.42 59.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 70.04 110.874 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.2 mm-40 -91.53 -147.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 61.13 110.847 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.49 21.1 7.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 71.44 112.477 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.942 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.5 m -104.62 -179.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 45.45 111.166 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.4 m -52.35 95.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 72.32 111.125 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.635 HG22 ' N ' ' A' ' 10' ' ' ALA . 42.7 mm -42.08 165.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.17 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.635 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.06 74.76 1.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.41 111.138 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -58.34 161.72 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 54.41 110.892 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -166.97 34.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.25 110.848 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.565 ' C ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 178.92 27.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.22 110.928 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.686 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 65.3 -69.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 73.42 110.843 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.32 -38.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 74.33 110.881 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 0.5 OUTLIER -80.44 -42.77 22.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 71.43 110.892 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.561 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.56 -48.67 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.914 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.558 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -64.15 -43.92 93.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 64.43 110.87 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -38.14 -36.34 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 34.22 111.073 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' OE1' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -89.47 -53.15 4.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.93 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.468 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.29 -33.84 4.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.889 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -77.03 -27.5 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 65.43 111.106 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -80.04 24.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.85 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.683 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.22 -52.54 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 73.03 111.129 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -44.0 97.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.886 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 22' ' ' THR . 1.1 pt-20 -86.38 -40.1 15.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 71.42 110.886 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -62.09 -32.54 73.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.2 111.081 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.81 6.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 53.12 112.475 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.7 ptpt -138.51 155.85 48.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 70.42 110.915 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.852 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.8 OUTLIER -66.81 163.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 60.44 111.113 179.871 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.683 HG23 ' CB ' ' A' ' 24' ' ' ALA . 14.8 t -114.25 146.33 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 63.34 111.135 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.886 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -142.61 96.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 73.21 111.112 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.832 HD11 HG12 ' A' ' 88' ' ' ILE . 0.3 OUTLIER -96.05 126.68 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 64.02 111.148 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -103.47 86.08 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.847 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.704 ' CD2' HG11 ' A' ' 79' ' ' VAL . 39.0 m-85 -58.44 -167.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER 164.11 138.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 63.54 111.164 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.684 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . . . -120.74 -150.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 43.25 111.066 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.485 ' C ' ' O ' ' A' ' 37' ' ' ALA . 1.2 m 31.18 48.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 35.53 110.86 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 38' ' ' SER . 21.2 m-90 68.67 -41.29 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.124 -0.489 . . . . 73.54 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.482 ' H ' ' C ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 175.02 169.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.875 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -108.99 -136.99 7.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.697 -0.764 . . . . 22.3 112.461 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 43' ' ' CYS . 54.0 Cg_endo -69.75 -52.72 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 65.22 112.368 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 42' ' ' PRO . 5.5 t 32.18 42.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 70.44 110.862 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.66 -48.03 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.867 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -81.13 -40.99 23.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.826 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.777 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -106.1 9.78 9.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.167 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.51 -55.65 40.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 74.05 111.142 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.67 4.44 2.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.749 2.3 . . . . 74.23 112.363 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.646 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 10.0 t -99.1 -49.39 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 52.13 111.142 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.777 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -62.67 -71.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.9 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.82 -49.38 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 75.15 111.103 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -62.87 -31.56 72.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 64.14 110.886 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.646 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-30 -70.7 -45.88 64.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 71.34 110.912 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.58 -43.74 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 75.13 111.074 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.942 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.8 mtpp -77.19 -41.67 40.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.896 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -53.88 -30.25 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.872 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.588 ' CE2' HG22 ' A' ' 109' ' ' ILE . 18.8 m-85 -111.78 88.05 9.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 74.31 110.87 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 2.61 3.38 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 61.44 112.301 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.801 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -100.6 21.02 45.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.743 . . . . 22.05 112.486 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.92 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.8 162.86 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 54.25 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.519 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.2 m -92.34 -37.19 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.111 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.92 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 86.0 m-85 58.11 153.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.926 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.687 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.06 148.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 65.15 110.889 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.41 133.66 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.918 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HD21 ' A' ' 70' ' ' LEU . 91.0 t -116.21 161.71 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.03 111.125 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.738 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -118.1 112.37 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.55 110.867 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.863 HG21 ' HA ' ' A' ' 81' ' ' ALA . 2.0 m -80.57 34.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 71.03 111.16 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -130.51 -6.08 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.871 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' OE2' ' CG ' ' A' ' 12' ' ' HIS . 10.4 pt-20 -131.6 -34.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 71.11 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 65' ' ' VAL . 1.8 pt? -130.17 23.93 5.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.895 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.9 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.87 179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.9 pt-20 -34.77 -30.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 64.21 110.869 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 71' ' ' LYS . 69.0 t -77.85 -47.76 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 70.23 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -62.47 -33.92 75.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 75.11 111.136 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.09 -24.65 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.9 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -79.01 -30.91 44.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 65.1 110.906 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.574 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 21.9 m-85 -97.76 -17.83 19.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 54.21 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 9.1 t-20 74.35 71.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.895 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.704 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -105.54 -27.09 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.139 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.4 OUTLIER 86.9 -70.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 72.21 110.901 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.863 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 167.29 57.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 70.1 111.055 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.539 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -140.41 169.48 11.71 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 63.42 110.859 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.5 Cg_endo -69.81 22.44 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.687 2.258 . . . . 45.35 112.355 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.555 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -44.43 125.41 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 74.05 111.114 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.646 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -84.45 40.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 65.12 110.885 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.12 143.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.88 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 16.9 m-85 -120.66 159.1 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.881 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.832 HG12 HD11 ' A' ' 33' ' ' ILE . 4.6 mm -144.02 75.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.117 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.738 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -77.09 121.25 23.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.912 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.5 t70 84.05 -12.11 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.05 41.63 2.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.792 -0.718 . . . . 64.24 112.479 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.86 -88.13 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 65.12 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -175.85 105.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.896 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.738 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.82 -33.33 18.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 63.25 111.094 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.5 m-20 158.71 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 72.11 110.861 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.06 -178.91 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.862 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.807 HG12 ' N ' ' A' ' 98' ' ' VAL . 40.3 t -153.04 -96.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 72.43 111.126 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.807 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 162.65 131.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 72.14 111.127 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -80.8 43.8 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 33.02 112.475 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.562 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -148.62 11.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 42.31 111.097 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 2.0 mpt_? -124.75 114.63 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 73.24 110.862 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.494 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.89 3.92 35.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.902 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.437 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 23.1 t0 -123.14 -7.22 8.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.845 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.17 -17.58 13.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 71.54 110.839 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.6 tp -79.47 -74.06 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 64.05 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.821 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.13 -18.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.912 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.654 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.7 t30 -79.79 -32.17 40.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 60.23 110.925 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.609 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.0 m -84.09 -38.28 20.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 63.12 111.124 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.588 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -63.62 -25.12 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.113 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.74 -29.77 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 65.54 111.152 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -80.57 -28.16 37.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 62.43 110.89 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.852 ' HB3' HG21 ' A' ' 30' ' ' VAL . 25.1 m-70 -100.85 -47.8 4.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.848 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.801 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.3 t -94.79 -29.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.059 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 115' ' ' ALA . . . -80.12 -9.4 86.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.724 . . . . 74.14 112.481 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' GLY . . . 36.95 39.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 72.44 111.049 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 18.4 m -161.3 -35.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 42.1 111.155 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.717 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 57.6 161.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 51.5 111.092 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -115.31 -64.59 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 71.01 111.12 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.5 89.89 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 60.3 110.848 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 121' ' ' SER . . . -65.21 142.58 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 75.13 111.126 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 120' ' ' ALA . 0.2 OUTLIER 77.25 -61.32 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.832 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 74.02 111.095 179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.756 0.313 . . . . 73.14 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -89.39 -17.41 28.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 52.32 111.089 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.08 39.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 70.52 111.111 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' ALA . 3.1 tt0 60.45 92.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 74.35 110.875 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.4 mm-40 -91.11 -155.76 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.896 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.09 30.94 3.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 32.41 112.496 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.878 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -110.27 177.27 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.873 0.368 . . . . 71.22 111.166 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.84 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.4 m -49.47 95.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.098 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.636 HG22 ' N ' ' A' ' 10' ' ' ALA . 24.0 mm -43.01 167.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 71.02 111.115 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.636 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.52 62.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 73.15 111.113 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.57 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -52.73 162.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 73.14 110.903 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.533 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 17.2 p80 -169.62 35.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 74.54 110.877 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.561 ' C ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.83 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.91 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 65.69 -68.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 73.31 110.868 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -30.96 -37.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.876 179.857 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -83.66 -42.46 16.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.889 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.593 ' CE1' ' OD1' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.92 -44.95 64.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.44 110.876 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD1' ' CE1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.95 -39.41 93.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 52.23 110.886 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.484 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -45.28 -21.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 62.43 111.112 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -105.58 -55.37 2.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.894 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.524 ' HE1' ' CG1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.3 -24.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 62.53 110.905 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -90.56 -26.07 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 52.35 111.132 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 4.2 mttm -82.87 19.36 1.37 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 62.42 110.858 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -119.98 -47.23 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 74.41 111.091 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.95 -48.8 78.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 72.54 110.921 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.97 -45.42 50.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.86 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -62.26 -28.25 69.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 65.24 111.106 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.22 13.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.57 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -125.36 166.61 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 62.1 110.927 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.677 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -79.55 159.38 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 71.13 111.123 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.534 ' N ' HG13 ' A' ' 30' ' ' VAL . 37.5 t -112.51 148.01 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 75.33 111.132 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.11 95.41 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.856 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -96.07 123.8 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 65.51 111.09 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' OD1' ' CD2' ' A' ' 85' ' ' PHE . 3.0 m-20 -100.44 95.26 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 65.41 110.838 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.702 ' CD1' HG12 ' A' ' 67' ' ' VAL . 45.6 m-85 -68.15 -170.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 64.13 110.856 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 2.4 t 154.1 135.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 54.11 111.128 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.003 ' HB3' HG22 ' A' ' 67' ' ' VAL . . . 163.57 45.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 52.15 111.082 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -116.71 -26.59 6.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 61.43 110.872 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' O ' ' CG ' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -179.58 29.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.898 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 68.69 92.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 70.44 110.875 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -42.95 167.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.741 . . . . 64.31 112.54 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' CYS . 53.8 Cg_endo -69.73 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.698 2.265 . . . . 72.02 112.343 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.604 ' C ' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 36.52 34.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.2 110.886 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.411 ' N ' ' O ' ' A' ' 42' ' ' PRO . 1.6 mtt180 -130.6 -52.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -76.41 -42.93 42.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.863 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.782 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -104.94 9.71 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.11 111.163 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.44 -55.37 43.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.594 0.712 . . . . 70.55 111.111 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.82 4.48 2.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 31.23 112.321 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 3.2 t -99.31 -48.09 11.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.16 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.782 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.1 m-30 -64.49 -71.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.889 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.84 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.79 -49.33 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 71.35 111.12 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -62.51 -32.27 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.899 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 6.0 m-30 -71.4 -44.86 64.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.915 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.28 -43.27 3.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.091 -0.504 . . . . 73.34 111.079 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.878 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.17 -40.68 37.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.11 110.87 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 10.1 mtmt -56.2 -28.34 57.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 61.34 110.901 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 12.6 m-85 -114.96 89.58 20.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 64.34 110.898 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.9 29.75 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 71.22 112.372 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.798 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -84.78 19.53 20.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.438 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.904 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.89 166.29 29.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 72.43 111.123 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' HD3' ' A' ' 29' ' ' LYS . 32.4 m -96.93 -38.47 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 63.32 111.096 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.904 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 89.9 m-85 59.23 146.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 73.04 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.856 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 174.33 146.86 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.909 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -120.51 134.22 55.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 73.14 110.903 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -135.22 162.45 38.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 74.24 111.117 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.789 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.3 t70 -107.08 127.92 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 74.52 110.888 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 37' ' ' ALA . 2.9 m -84.25 29.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 74.31 111.09 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.16 -20.42 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.44 110.854 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -111.84 -35.21 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 72.13 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -127.3 24.13 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 60.12 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.05 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.866 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.5 pt-20 -35.68 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 74.4 110.878 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' LYS . 74.4 t -82.26 -44.38 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 55.44 111.108 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 71' ' ' LYS . . . -67.23 -31.6 72.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.35 111.087 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.78 -21.88 66.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 71.41 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.586 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.98 -32.03 30.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 62.31 110.852 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.653 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.8 m-85 -95.82 -20.57 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 64.42 110.911 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 76.14 72.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 61.33 110.886 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.692 HG11 ' CE2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -108.85 -29.76 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.32 111.128 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.5 mt-10 85.03 -71.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 63.1 110.923 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.89 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 171.25 63.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.11 111.146 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.534 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -141.25 167.2 17.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 53.12 110.837 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' PHE . 53.9 Cg_endo -69.8 21.54 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.697 2.264 . . . . 54.15 112.361 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -48.18 128.55 14.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 43.15 111.122 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.651 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.9 m-85 -88.43 41.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 61.2 110.878 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.009 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -30.29 137.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.458 . . . . 73.11 110.934 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.651 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.7 m-85 -116.17 152.99 32.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.772 HG12 HD11 ' A' ' 33' ' ' ILE . 4.1 mm -138.67 80.07 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 62.34 111.137 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.4 ttpt -80.53 122.07 26.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.894 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.7 t70 81.91 -7.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 71.14 110.882 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.33 42.97 2.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 30.4 112.496 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -144.73 -87.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.701 0.286 . . . . 75.24 111.098 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -175.1 105.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 74.24 110.908 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.49 -34.02 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 71.31 111.074 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 2.0 m-20 157.09 179.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.805 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 1.009 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -124.61 -179.73 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.883 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.874 HG12 ' N ' ' A' ' 98' ' ' VAL . 13.1 t -151.94 -92.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.151 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.874 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.16 134.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 61.24 111.155 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -86.96 42.18 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 63.13 112.474 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.614 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.37 15.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.76 0.314 . . . . 61.22 111.108 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.633 ' HD3' HG11 ' A' ' 98' ' ' VAL . 5.1 mpt_? -123.48 114.06 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 73.13 110.884 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -88.53 12.18 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.24 110.864 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.85 -5.62 4.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 75.15 110.873 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.73 -30.41 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 71.31 110.854 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 50' ' ' PHE . 15.3 tp -65.27 -76.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 70.11 110.907 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.725 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.08 -35.2 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.937 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.752 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 t30 -63.12 -33.72 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 65.12 110.838 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.46 HG23 ' CD2' ' A' ' 112' ' ' HIS . 6.1 m -80.9 -47.0 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.21 111.114 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 105' ' ' LEU . 2.2 mp -53.71 -27.97 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.51 111.109 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.752 HG22 ' O ' ' A' ' 107' ' ' ASN . 29.1 m -78.32 -27.56 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 51.4 111.082 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.441 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -82.53 -27.6 31.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.24 110.928 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.677 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.8 m-70 -102.46 -47.52 4.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.882 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.65 -30.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 71.04 111.113 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.72 -10.59 86.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 44.54 112.476 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 116' ' ' THR . . . 38.76 38.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 51.14 111.116 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 115' ' ' ALA . 8.7 p -158.93 -35.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.15 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.719 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 55.85 164.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 32.31 111.063 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.45 -57.59 7.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 45.22 111.095 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 120' ' ' ALA . 11.6 t -158.76 -50.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.857 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.436 ' HB2' ' O ' ' A' ' 119' ' ' SER . . . 177.33 -56.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 71.42 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.71 94.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 32.23 110.864 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 72.24 111.076 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.752 0.31 . . . . 64.3 110.852 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.442 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -74.97 -17.01 60.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.41 111.09 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.88 40.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 51.34 111.116 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 59.04 91.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 61.03 110.844 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 3.3 mm-40 -90.47 -161.0 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 63.31 110.888 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.05 29.33 3.11 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 44.15 112.457 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.907 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.67 176.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 74.53 111.137 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.864 HG22 ' HA ' ' A' ' 51' ' ' ALA . 27.1 m -50.42 95.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 64.15 111.097 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.707 ' HB ' HD12 ' A' ' 63' ' ' LEU . 25.5 mm -43.0 167.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 73.54 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.631 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -139.6 74.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 71.22 111.111 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.551 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -48.29 175.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.889 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.469 ' C ' ' OE2' ' A' ' 69' ' ' GLU . 18.6 t-80 -179.42 30.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.847 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' C ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 177.14 26.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.878 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 64.93 -70.32 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 72.44 110.861 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -31.47 -37.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.879 179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -81.06 -43.9 18.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 55.4 110.892 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -51.46 -43.81 62.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.55 110.896 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.487 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.3 m-20 -68.62 -34.44 75.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 75.13 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -46.37 -20.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 54.41 111.111 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' CD ' HG13 ' A' ' 9' ' ' ILE . 1.4 mp0 -104.68 -51.86 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.23 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.426 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -48.35 -21.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 72.35 110.817 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.63 -23.88 18.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 72.23 111.15 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 20' ' ' GLN . 6.8 mttt -83.54 20.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.919 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.582 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.51 -44.27 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 70.55 111.089 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.09 -47.27 77.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 61.12 110.94 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.91 48.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.867 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.641 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -63.72 -27.75 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 72.21 111.139 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.11 32.18 18.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 53.43 112.504 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.684 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -125.32 165.07 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 64.33 110.899 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -78.25 161.01 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.428 . . . . 72.02 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.582 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 44.1 t -113.54 148.44 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 64.34 111.11 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.871 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.23 95.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 64.04 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.079 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -95.73 129.57 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.114 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.509 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -105.44 92.19 4.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 61.42 110.889 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.702 ' CE2' HG11 ' A' ' 79' ' ' VAL . 29.4 m-85 -62.87 -164.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.869 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.85 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER 164.05 137.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.496 . . . . 73.52 111.132 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.103 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . . . -131.4 -178.39 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 52.42 111.127 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.671 ' O ' ' CE3' ' A' ' 39' ' ' TRP . 0.3 OUTLIER 38.75 78.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 43.33 110.888 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 38' ' ' SER . 4.2 p90 38.57 21.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 72.12 110.911 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' A' ' 38' ' ' SER . 1.9 t 72.48 -178.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 70.21 110.841 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.13 -108.84 3.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 51.2 112.471 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 43' ' ' CYS . 53.6 Cg_endo -69.8 -53.21 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.225 0 C-N-CA 122.679 2.253 . . . . 75.43 112.33 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER 35.11 40.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 61.13 110.869 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -154.24 -51.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 71.02 110.838 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -62.83 -48.24 79.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.34 110.853 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.758 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.7 tt -102.09 10.72 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 73.14 111.089 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.63 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.36 -54.2 57.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.72 . . . . 72.22 111.102 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.72 3.73 2.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 52.22 112.352 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -98.81 -48.46 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 43.41 111.147 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.758 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -63.38 -70.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.1 110.906 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.864 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.51 -48.99 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.21 111.089 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.1 pt-20 -63.43 -30.52 71.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 74.51 110.883 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.0 m-30 -72.25 -45.57 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 71.05 110.955 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.36 -42.51 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 62.22 111.107 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.907 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.4 mtpp -77.66 -41.07 39.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 73.02 110.907 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.9 mtmt -53.77 -32.09 51.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' CE2' HG22 ' A' ' 109' ' ' ILE . 17.9 m-85 -111.51 89.72 11.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.654 0.74 . . . . 71.3 110.88 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -4.07 13.28 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.635 2.223 . . . . 71.03 112.367 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.814 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -93.2 21.67 38.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 72.42 112.469 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.918 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.61 165.73 31.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 72.12 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.684 HG12 ' HD3' ' A' ' 29' ' ' LYS . 13.1 m -97.61 -35.05 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 61.12 111.138 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.918 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.7 m-85 56.99 158.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.888 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.079 HD23 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER 169.48 150.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 61.21 110.926 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -117.76 122.66 44.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 75.34 110.898 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.738 HG13 HD21 ' A' ' 70' ' ' LEU . 85.5 t -107.37 161.4 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.104 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.868 ' O ' HD23 ' A' ' 70' ' ' LEU . 8.9 t0 -121.92 102.96 8.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 55.24 110.865 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.902 HG21 ' HA ' ' A' ' 81' ' ' ALA . 3.4 m -74.72 43.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 54.34 111.094 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -133.56 -20.01 2.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.858 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -124.66 -29.69 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.41 110.87 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.868 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.37 21.65 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 74.44 110.908 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.78 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.903 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' A' ' 70' ' ' LEU . 7.2 pt-20 -34.46 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.904 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.549 ' N ' ' O ' ' A' ' 71' ' ' LYS . 53.9 t -76.2 -48.7 27.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 51.54 111.151 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.618 ' HB1' HG22 ' A' ' 79' ' ' VAL . . . -60.52 -32.07 71.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.107 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.15 -29.89 70.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.887 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.555 ' HE3' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -74.56 -34.95 63.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.883 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.692 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.6 m-85 -94.51 -12.69 27.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 70.04 110.929 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.412 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.5 t-20 67.9 74.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 74.13 110.858 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.702 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.2 m -115.64 -27.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 61.31 111.166 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.559 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.8 mt-10 75.68 -64.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.3 110.896 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.103 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . 170.87 103.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 32.41 111.109 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.562 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 178.61 161.2 0.67 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.571 0.701 . . . . 75.31 110.874 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.73 20.32 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 71.41 112.363 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.562 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -47.33 126.69 9.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 73.01 111.186 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.643 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -85.63 41.64 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 72.22 110.901 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.695 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -31.48 144.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.881 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 18.0 m-85 -121.42 157.07 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.908 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 33' ' ' ILE . 4.5 mm -142.54 77.78 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.156 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 4.5 ttpt -79.98 121.84 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 72.44 110.864 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t70 83.46 -12.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.869 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.75 45.02 1.7 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.699 -0.762 . . . . 42.03 112.472 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.3 -89.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.321 . . . . 73.44 111.076 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -174.3 104.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.931 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.89 -34.07 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 63.4 111.068 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 157.52 -179.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.15 110.846 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -132.79 174.03 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 60.55 110.936 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.789 ' O ' HG23 ' A' ' 98' ' ' VAL . 37.2 t -143.03 -94.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.428 . . . . 74.32 111.161 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 161.21 131.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 73.11 111.104 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -81.75 43.78 3.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 61.24 112.453 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.584 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -151.62 14.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 74.44 111.107 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -126.3 116.22 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 73.3 110.84 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -87.12 6.37 33.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.907 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.447 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -126.3 -7.48 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 75.31 110.852 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.99 -17.53 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 52.45 110.901 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.596 HD22 ' CE1' ' A' ' 50' ' ' PHE . 21.7 tp -81.09 -74.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.94 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.717 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.47 -18.48 0.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 72.45 110.906 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -80.6 -33.61 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.849 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.555 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 3.7 m -81.17 -39.54 25.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.102 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.54 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.3 mp -62.03 -26.6 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 62.22 111.158 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.26 -30.65 15.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 70.41 111.132 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.455 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -79.01 -28.89 43.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 75.54 110.917 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.742 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.2 m-70 -100.5 -48.37 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 74.22 110.827 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.814 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.1 t -93.33 -30.84 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.113 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -78.02 -9.18 87.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.514 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.67 37.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 74.31 111.134 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.569 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 85.0 m -162.6 -44.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 71.42 111.15 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.668 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 75.66 -47.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 30.3 111.075 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 117' ' ' ALA . . . 80.24 -54.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.41 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.1 p -124.93 95.68 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.884 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -99.97 108.81 21.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 44.32 111.098 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.58 94.39 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 62.34 110.876 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 52.35 111.079 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.817 0.342 . . . . 51.12 110.898 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 53.08 -100.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.15 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 75.57 58.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 75.31 111.122 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 57.85 99.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.5 -147.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.871 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -83.89 29.36 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 73.43 112.497 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.929 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -111.27 179.8 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 71.45 111.105 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 51' ' ' ALA . 30.7 m -51.63 95.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 72.52 111.143 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.628 HG22 ' N ' ' A' ' 10' ' ' ALA . 18.9 mm -42.77 168.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 55.02 111.123 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.03 56.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.132 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -43.43 160.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 52.33 110.874 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.607 ' CE1' ' OE2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -168.36 38.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.31 110.859 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 176.85 28.34 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 75.3 110.894 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.671 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.48 -69.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.88 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.45 -38.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.892 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.3 mt-10 -80.89 -41.34 23.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 72.54 110.912 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.74 ' HA ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -56.69 -45.12 81.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 64.03 110.883 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 m-20 -68.11 -28.97 67.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.31 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -59.98 -7.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.137 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -117.67 -37.66 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.903 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.571 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -65.7 -16.84 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.854 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -93.87 -31.54 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 43.21 111.197 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -80.85 26.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.878 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.597 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -127.3 -42.37 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 61.12 111.107 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -69.94 -43.37 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.915 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -42.88 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.898 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -66.09 -29.14 69.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 33.41 111.128 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.36 30.71 13.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 53.44 112.425 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.593 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -121.7 163.86 18.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 72.31 110.907 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -77.23 160.58 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 65.12 111.133 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' CB ' ' A' ' 24' ' ' ALA . 9.9 t -114.16 147.75 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 72.23 111.115 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.888 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.9 mp -142.48 96.2 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 71.23 111.072 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.066 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -95.73 128.31 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 55.05 111.106 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.7 t70 -101.41 86.75 3.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.851 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.639 ' CD2' HG11 ' A' ' 79' ' ' VAL . 30.8 m-85 -61.0 -167.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.34 110.88 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.949 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER 166.23 134.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 71.32 111.131 -179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.643 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . . . -100.57 174.37 6.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 52.52 111.123 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -36.82 -73.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.856 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -38.33 -39.84 0.48 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 61.05 110.973 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 41' ' ' GLY . 44.1 t 62.11 161.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.914 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' SG ' ' A' ' 40' ' ' CYS . . . -88.04 -154.64 27.86 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 71.51 112.437 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -47.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 72.22 112.335 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 46.21 45.32 12.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 62.45 110.923 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -156.69 -56.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 71.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -65.1 -42.51 93.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 52.12 110.902 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.4 tt -104.52 11.05 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 53.42 111.087 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.648 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.08 -54.43 54.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.568 0.699 . . . . 62.32 111.106 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.1 Cg_endo -69.77 5.19 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.241 . . . . 71.23 112.342 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.7 t -100.1 -48.57 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.12 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.5 m-30 -63.85 -70.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.14 110.906 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.866 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.29 -48.67 18.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.55 111.123 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.5 pt-20 -62.76 -32.27 73.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 64.41 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.617 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-30 -70.42 -45.97 64.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.903 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.794 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.71 -42.45 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 61.35 111.072 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.929 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.6 mtpp -78.68 -42.71 27.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.44 110.873 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 12.2 mtmt -54.8 -25.98 31.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 61.33 110.913 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE1' HG22 ' A' ' 109' ' ' ILE . 17.4 m-85 -115.45 89.36 21.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 72.41 110.896 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -4.38 13.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.689 2.259 . . . . 64.15 112.355 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.806 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.37 23.29 32.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.771 -0.728 . . . . 51.21 112.487 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.951 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.87 161.64 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 71.35 111.09 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 33.3 m -94.67 -35.86 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.159 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.951 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.3 m-85 57.25 160.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 71.01 110.866 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.066 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.88 147.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 63.31 110.914 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -122.08 132.9 54.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.21 110.926 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.27 165.55 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.141 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.794 ' O ' HD23 ' A' ' 70' ' ' LEU . 18.0 t0 -110.57 121.7 45.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.879 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 36' ' ' THR . 16.4 m -82.96 33.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -123.92 -19.88 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.9 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.607 ' OE2' ' CE1' ' A' ' 12' ' ' HIS . 9.0 pt-20 -115.5 -33.05 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 61.45 110.885 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.6 pt? -129.14 23.49 5.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 64.52 110.948 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.09 -35.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.919 179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.4 pt-20 -34.05 -31.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 63.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.5 t -76.49 -47.41 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 62.34 111.09 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.698 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 45.44 111.077 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.66 -18.44 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.41 110.917 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -86.16 -31.56 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 63.21 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.5 m-85 -96.69 -15.91 21.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.918 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 70.62 74.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 74.4 110.891 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.639 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -102.34 -33.69 3.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 70.5 111.147 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.553 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.3 mt-10 87.89 -73.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.914 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.643 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . 172.73 90.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 72.35 111.104 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 176.86 164.58 0.48 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.576 0.703 . . . . 70.32 110.849 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.546 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.8 40.94 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 74.11 112.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -62.93 116.89 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 62.34 111.143 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -77.26 60.6 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.862 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.845 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -48.31 143.18 4.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 61.1 110.927 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 40.0 m-85 -120.6 141.69 50.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 51.15 110.911 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 33' ' ' ILE . 11.9 mm -128.5 77.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 74.02 111.09 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 10.5 ttmt -78.67 122.49 26.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.848 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.3 t0 83.41 -15.3 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.884 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.94 44.52 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 62.43 112.533 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.419 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.81 -86.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.739 0.304 . . . . 41.03 111.104 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -175.48 106.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 75.41 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.666 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -88.51 -32.0 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.1 111.132 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.3 m-20 157.73 -178.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 53.34 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.845 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -128.35 -171.3 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.31 110.896 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -161.96 -96.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.03 111.11 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.77 143.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 54.53 111.141 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.39 49.06 2.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.738 -0.744 . . . . 73.31 112.513 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.55 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.73 16.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 61.23 111.095 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 100' ' ' ALA . 6.4 mpt_? -131.0 113.98 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 70.33 110.874 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.27 8.12 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 71.54 110.88 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.451 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 11.7 p-10 -124.8 -10.18 7.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 74.3 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.33 -20.63 13.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.45 110.866 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.591 HD22 ' CE1' ' A' ' 50' ' ' PHE . 30.4 tp -78.82 -76.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.823 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.75 -20.15 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 63.21 110.934 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.687 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.3 t30 -79.88 -34.08 39.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 70.43 110.834 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.593 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.8 m -80.78 -40.53 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 51.51 111.099 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.559 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.5 mp -62.8 -26.07 39.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 55.43 111.116 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.8 m -78.77 -30.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 63.2 111.157 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -79.63 -28.27 40.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 65.34 110.928 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.87 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.0 m-70 -101.01 -47.45 4.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 71.11 110.815 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.806 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.9 t -94.73 -29.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 70.34 111.147 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.9 -11.38 84.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.747 . . . . 74.03 112.487 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.59 40.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 71.24 111.071 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 23.6 m -162.12 -34.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.35 111.16 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.705 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 54.44 -180.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 62.33 111.098 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -113.59 -47.73 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.21 111.071 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 52.8 p -162.83 44.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.889 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -135.56 34.4 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.31 111.094 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.6 m -83.32 93.94 7.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 72.34 110.925 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 71.11 111.116 179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 60.34 110.898 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.581 ' O ' ' HB3' ' A' ' 3' ' ' ALA . . . 34.7 -102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 44.31 111.11 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 2' ' ' ALA . . . 76.83 79.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.12 111.102 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 42.88 90.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 61.21 110.911 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' OE1' ' O ' ' A' ' 2' ' ' ALA . 2.3 mm-40 -96.2 -151.12 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.505 . . . . 74.42 110.889 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.75 25.56 5.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 50.43 112.483 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.949 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -104.08 176.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 62.44 111.155 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 35.6 m -49.95 94.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 30.23 111.13 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.634 HG22 ' H ' ' A' ' 10' ' ' ALA . 14.2 mm -44.52 170.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 73.44 111.135 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.719 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -142.27 81.82 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 54.24 111.114 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.626 ' SG ' HD11 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -54.84 -89.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 52.43 110.92 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' NE2' ' CG ' ' A' ' 64' ' ' LYS . 10.6 m170 67.56 16.51 9.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 74.33 110.897 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' ASP . 17.0 t30 -152.39 10.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.642 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 62.66 -72.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 71.43 110.883 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -33.07 -34.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 63.45 110.899 179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -89.13 -39.81 13.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.52 110.876 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -53.21 -32.43 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.2 110.884 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -70.83 -34.22 71.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 63.32 110.87 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' O ' ' CE ' ' A' ' 23' ' ' LYS . . . -56.26 -29.13 60.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.066 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -94.97 -52.7 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 55.04 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HE2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -49.03 -24.94 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.86 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -94.9 -19.27 20.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 63.42 111.198 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -83.56 23.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.918 179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.619 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -122.93 -47.0 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 63.53 111.046 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.71 -41.39 96.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.896 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.17 -42.38 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.885 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.15 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 71.32 111.077 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 36.38 7.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.728 -0.749 . . . . 42.01 112.5 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.541 ' HD2' HG12 ' A' ' 61' ' ' VAL . 8.9 ptpt -135.53 160.6 37.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 61.45 110.916 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -71.65 160.52 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 74.35 111.105 179.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.619 HG23 ' CB ' ' A' ' 24' ' ' ALA . 36.3 t -111.5 143.91 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 72.23 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.863 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.4 mp -141.54 98.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 55.21 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.74 126.78 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.11 111.105 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 3.8 t70 -99.01 91.89 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 71.32 110.857 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.751 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 32.4 m-85 -64.93 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.41 110.865 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.995 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 162.97 141.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 63.55 111.151 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -77.84 -169.62 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.046 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.402 ' HB3' ' CE3' ' A' ' 39' ' ' TRP . 8.0 t -64.44 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 73.12 110.827 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' CYS . 6.7 m-90 -118.5 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.896 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' TRP . 0.8 OUTLIER -34.75 123.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 72.52 110.908 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.79 101.95 0.35 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 62.41 112.489 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -48.69 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.726 2.284 . . . . 64.45 112.301 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.477 ' C ' ' HB2' ' A' ' 47' ' ' ALA . 79.7 m 40.07 36.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.88 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -135.42 -56.32 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.878 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -71.56 -42.63 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.891 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -104.91 10.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.24 111.12 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.638 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.27 -54.21 55.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.625 0.726 . . . . 75.22 111.105 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.79 4.66 2.07 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.676 2.251 . . . . 75.12 112.376 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.6 t -100.25 -47.76 11.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.117 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.0 m-30 -63.27 -71.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.32 -48.73 18.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.09 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -62.77 -32.55 73.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 72.34 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -71.37 -44.67 64.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.925 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.822 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.34 -42.69 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 64.24 111.13 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.949 ' HD2' HG12 ' A' ' 7' ' ' VAL . 11.4 mtpp -78.82 -40.83 31.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 74.53 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.0 mtmt -53.74 -30.16 42.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 45.52 110.927 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.3 m-85 -113.24 88.66 12.98 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.602 0.715 . . . . 72.33 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -1.61 8.72 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.728 2.285 . . . . 60.51 112.363 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.78 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -94.3 19.99 50.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.699 -0.762 . . . . 74.24 112.498 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.905 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.95 165.07 32.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.23 111.091 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.4 m -93.84 -36.83 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 43.22 111.163 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.905 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.4 m-85 58.28 151.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 64.53 110.86 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 170.24 148.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.04 110.935 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.719 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -115.26 132.29 56.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.24 110.91 179.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.821 ' CG2' HD21 ' A' ' 70' ' ' LEU . 8.6 p -118.62 163.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.31 111.102 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.727 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.1 t0 -120.6 115.19 22.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.42 110.864 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.995 HG22 ' O ' ' A' ' 36' ' ' THR . 2.5 m -80.48 34.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.12 -11.12 5.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 64.1 110.852 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' CD ' ' HB3' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -128.09 -38.21 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.857 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.821 HD21 ' CG2' ' A' ' 65' ' ' VAL . 1.7 pt? -124.66 22.42 8.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.77 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 64.5 110.925 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.7 pt-20 -35.82 -28.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 60.43 110.888 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.541 ' N ' ' O ' ' A' ' 71' ' ' LYS . 73.0 t -80.16 -45.34 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 73.12 111.166 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.751 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.61 -32.18 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.085 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.27 -23.78 67.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -81.42 -32.19 32.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.909 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.608 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.8 m-85 -96.39 -17.06 20.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.928 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 73.26 74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 41.3 110.872 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.747 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -109.48 1.88 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 75.45 111.125 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 2.8 pt-20 37.03 28.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 62.41 110.887 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.857 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 68.57 104.73 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 71.42 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.57 ' HG2' ' H ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 176.52 163.12 0.47 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.554 0.692 . . . . 75.34 110.932 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.529 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.2 Cg_endo -69.79 22.02 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 72.54 112.36 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 82' ' ' MET . 0.8 OUTLIER -53.25 121.37 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 72.21 111.135 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.637 ' CE2' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -79.66 42.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.921 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -32.64 141.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 70.23 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 15.6 m-85 -118.85 153.07 35.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.875 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.791 HG12 HD11 ' A' ' 33' ' ' ILE . 5.1 mm -138.62 75.12 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 63.04 111.106 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.0 ttmt -78.04 122.76 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.914 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.22 -9.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 64.14 110.888 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.46 44.9 2.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 40.44 112.512 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.97 -87.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 75.12 111.08 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -176.53 105.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.894 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.653 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.17 -32.84 17.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.25 111.137 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.524 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.8 m-20 158.4 179.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.896 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -133.24 177.95 7.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 75.2 110.916 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.805 HG12 ' N ' ' A' ' 98' ' ' VAL . 44.0 t -147.33 -97.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.4 111.139 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.805 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.89 134.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 60.13 111.109 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.22 42.2 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.674 -0.775 . . . . 74.44 112.458 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.9 12.52 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.734 0.302 . . . . 73.02 111.053 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.609 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -123.07 116.44 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 70.21 110.875 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.509 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.23 11.88 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.935 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.23 -3.84 3.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 60.04 110.872 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -112.22 -33.52 6.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.877 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.637 HD13 ' CE2' ' A' ' 85' ' ' PHE . 6.2 tp -62.29 -72.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.899 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.845 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -50.1 -33.93 20.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.922 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.531 ' O ' HG22 ' A' ' 110' ' ' VAL . 2.4 t30 -64.7 -27.41 68.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.908 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 87' ' ' PHE . 3.8 m -86.7 -47.01 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 65.4 111.162 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.567 HG22 ' CE2' ' A' ' 57' ' ' PHE . 2.0 mp -55.53 -28.1 22.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 70.32 111.128 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 106' ' ' GLN . 15.8 m -78.46 -27.74 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.1 111.117 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.651 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -82.78 -27.7 30.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.923 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.654 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.9 m-70 -101.46 -46.8 4.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 71.24 110.839 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -95.29 -30.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 63.12 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -85.24 -10.89 76.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 30.35 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 116' ' ' THR . . . 51.96 104.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 51.13 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 115' ' ' ALA . 1.2 m 85.98 62.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.136 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.651 ' HB2' ' CB ' ' A' ' 111' ' ' LYS . . . -30.73 -81.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 65.13 111.092 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.19 -60.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 62.24 111.1 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.0 t -175.26 152.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 53.3 110.865 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -120.19 142.27 49.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 62.0 111.079 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.81 77.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.43 110.911 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.089 -0.505 . . . . 73.1 111.104 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.737 0.303 . . . . 75.22 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -105.52 -19.27 13.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 70.34 111.108 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.27 39.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 73.44 111.082 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.644 ' HG3' HD12 ' A' ' 9' ' ' ILE . 12.5 tt0 59.61 90.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 53.32 110.873 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.9 mm-40 -90.22 -157.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.841 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.09 28.87 4.01 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 51.51 112.508 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.932 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -107.73 175.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 64.43 111.115 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 51' ' ' ALA . 25.5 m -51.76 97.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 64.54 111.144 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.644 HD12 ' HG3' ' A' ' 4' ' ' GLU . 20.3 mm -45.01 168.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 61.14 111.098 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.24 74.66 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 42.14 111.122 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.561 ' O ' ' CG ' ' A' ' 12' ' ' HIS . 14.6 p -68.86 165.74 19.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 44.15 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.561 ' CG ' ' O ' ' A' ' 11' ' ' CYS . 80.1 m80 -163.61 35.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 65.11 110.843 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.448 ' OD1' ' CD ' ' A' ' 16' ' ' GLU . 2.8 p-10 -171.14 20.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 73.45 110.895 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER 65.17 -68.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.22 110.894 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -29.63 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.901 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -82.22 -43.51 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 71.13 110.848 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -49.43 -37.46 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 64.51 110.911 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.8 m-20 -66.41 -37.2 84.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 62.12 110.868 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.64 -21.91 1.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 64.53 111.111 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.55 -52.59 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 64.23 110.884 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -49.12 -18.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 61.05 110.878 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.49 -21.97 15.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.16 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -84.39 27.54 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.2 110.893 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.635 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -126.59 -46.79 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.31 111.071 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -40.19 89.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 52.44 110.844 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -87.98 -40.96 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.916 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.97 72.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 70.51 111.112 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.41 36.94 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.743 . . . . 70.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.5 ptpt -136.79 155.55 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 75.21 110.884 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.1 t -67.6 163.05 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.33 111.108 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG23 ' CB ' ' A' ' 24' ' ' ALA . 25.2 t -114.84 144.36 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 72.31 111.127 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.854 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.0 96.12 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 72.5 111.096 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.831 HG23 HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -95.31 131.24 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.113 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -107.2 92.8 4.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.856 179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.786 ' CE2' HG21 ' A' ' 79' ' ' VAL . 45.7 m-85 -62.59 -164.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 63.12 110.832 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.602 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.6 OUTLIER 158.73 126.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 62.02 111.192 -179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.58 -67.66 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.32 111.072 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.46 ' HB3' ' CE3' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -177.82 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 61.22 110.869 -179.786 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.46 ' CE3' ' HB3' ' A' ' 38' ' ' SER . 1.2 m-90 -110.68 -43.79 3.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.155 -0.475 . . . . 71.5 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 72.5 m -58.17 92.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 74.54 110.898 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.43 140.53 2.94 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.755 -0.736 . . . . 72.43 112.477 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.88 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.685 2.257 . . . . 54.33 112.334 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 40.94 42.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 64.2 110.847 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -163.21 -57.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 72.22 110.862 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -67.5 -42.3 83.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.45 110.859 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.755 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.2 tt -104.11 10.6 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 72.25 111.117 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.656 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -57.35 -54.65 52.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 53.23 111.092 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.82 4.31 2.29 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 74.4 112.38 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.714 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 3.4 t -98.83 -47.85 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 71.23 111.094 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.755 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.3 m-30 -65.06 -71.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.857 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.85 -47.53 11.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.41 111.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.7 pt-20 -63.9 -33.64 76.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 62.4 110.855 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.714 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.8 m-30 -68.44 -47.91 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.959 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.814 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.27 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 65.42 111.096 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 13.1 mtpp -76.36 -40.43 51.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.932 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -58.82 -24.96 62.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.944 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.552 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.4 m-85 -116.72 87.61 22.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 72.01 110.884 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -6.24 18.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.726 2.284 . . . . 72.4 112.316 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.783 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -89.57 19.47 40.37 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 60.11 112.536 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.856 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -148.87 168.45 22.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 43.14 111.111 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 29' ' ' LYS . 35.3 m -101.13 -33.69 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.11 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.856 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 88.6 m-85 56.15 160.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.831 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 160.79 147.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.921 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.708 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -121.15 134.71 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 62.02 110.863 179.805 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.699 HG13 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -125.9 165.18 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 62.1 111.15 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.82 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.0 t0 -110.64 119.86 40.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.885 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.704 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.3 m -83.02 33.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.102 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -127.45 -20.21 4.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.902 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 12' ' ' HIS . 14.0 pt-20 -115.45 -36.24 4.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.858 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.82 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -125.3 24.46 7.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.897 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.0 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.895 179.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 70' ' ' LEU . 9.8 pt-20 -35.74 -28.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.908 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' LYS . 92.0 t -80.44 -45.79 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 61.32 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.704 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -62.49 -24.83 67.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 31.41 111.086 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -38.6 59.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.892 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.584 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.8 OUTLIER -63.47 -35.79 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.14 110.892 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.584 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -95.85 -7.91 35.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 73.2 110.927 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 1.0 OUTLIER 66.06 72.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.41 110.882 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG21 ' CE2' ' A' ' 35' ' ' PHE . 87.1 t -89.41 -97.44 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 70.54 111.131 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.3 OUTLIER 156.2 -66.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.897 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 164.45 41.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 61.3 111.077 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.528 ' HB3' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -138.13 170.18 11.04 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 75.24 110.867 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.83 21.75 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.684 2.256 . . . . 64.34 112.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.705 HG23 ' HB2' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.35 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 55.35 111.133 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.635 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.5 OUTLIER -82.08 39.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.869 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.646 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -30.68 142.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 73.13 110.911 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 23.4 m-85 -120.81 149.18 42.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.83 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.774 HG12 HD11 ' A' ' 33' ' ' ILE . 7.3 mm -133.85 75.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 72.15 111.099 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -76.57 122.94 25.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.881 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 7.0 t0 81.9 -11.27 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 71.32 110.835 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.12 41.24 2.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 54.42 112.509 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -145.01 -85.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.748 0.308 . . . . 61.41 111.121 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -177.8 108.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 64.33 110.899 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.866 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -91.29 -31.03 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 45.22 111.073 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 159.14 179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 71.01 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.705 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -136.78 174.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.896 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.91 ' O ' HG23 ' A' ' 98' ' ' VAL . 56.1 t -149.76 -100.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.34 111.139 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 166.02 134.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 54.04 111.115 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.56 45.29 1.82 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 60.44 112.522 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.523 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -147.61 0.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 71.41 111.102 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.45 HH21 ' HB1' ' A' ' 100' ' ' ALA . 0.0 OUTLIER -101.83 104.4 15.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.24 110.893 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.518 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -81.98 2.15 32.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 73.22 110.878 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.47 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 2.9 p30 -129.54 -10.02 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.858 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -104.33 -25.0 13.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.884 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.728 HD22 ' CE1' ' A' ' 50' ' ' PHE . 34.0 tp -70.46 -74.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.936 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.704 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -47.61 -20.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.15 110.921 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.2 OUTLIER -80.88 -33.29 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.898 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.556 ' CG2' ' CZ ' ' A' ' 87' ' ' PHE . 2.8 m -80.45 -36.42 33.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 62.15 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.552 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -65.99 -26.35 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.01 111.188 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.765 HG23 ' HA ' ' A' ' 117' ' ' ALA . 26.9 m -77.61 -31.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 64.34 111.103 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -78.36 -28.22 47.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.866 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.728 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.7 m-70 -100.78 -47.95 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' ' 59' ' ' GLY . 5.0 t -94.46 -31.1 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 64.53 111.103 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -77.09 -22.54 70.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 72.13 112.471 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 53.73 14.41 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 63.22 111.084 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -133.01 -31.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.14 111.148 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.765 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 53.28 172.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 71.41 111.126 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -123.25 -56.66 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.086 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.5 99.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 53.11 110.88 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -136.04 115.93 13.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.099 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.8 t -74.05 83.72 1.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 72.54 110.866 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 34.32 111.087 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' OE1' ' A' ' 5' ' ' GLU . 2.3 ttm . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.81 0.338 . . . . 63.33 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.435 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . . . -136.03 0.52 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 52.2 111.114 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.3 -19.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.13 111.123 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 2' ' ' ALA . 21.0 tt0 -176.42 87.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 65.44 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 2.1 mm-40 -93.41 -153.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.25 110.847 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.3 22.82 7.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 72.03 112.472 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.973 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -101.83 -178.6 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.362 . . . . 72.54 111.123 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.83 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 32.0 m -51.43 94.83 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 52.2 111.095 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 39.8 mm -42.23 166.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.4 111.093 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.633 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.1 57.9 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 54.52 111.14 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.56 ' CB ' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -45.03 162.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.945 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.538 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -170.11 34.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 65.33 110.844 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.545 ' C ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 179.76 27.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.911 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.84 -69.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 63.12 110.919 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -30.79 -38.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.877 179.857 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 1.2 mt-10 -81.98 -42.5 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.889 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -53.29 -41.9 66.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.51 110.853 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.22 -43.17 87.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.914 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.15 -25.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 75.2 111.1 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -104.95 -51.52 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.917 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.32 -20.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 72.4 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -99.6 -23.85 14.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 62.21 111.175 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -83.74 25.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.34 110.898 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -128.61 -41.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 63.35 111.102 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -68.58 -46.15 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -71.84 -46.35 58.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.858 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -28.1 67.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 63.12 111.095 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 86.31 36.04 10.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 74.15 112.514 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.627 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.13 158.99 31.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 72.14 110.879 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.803 HG21 ' HB3' ' A' ' 112' ' ' HIS . 0.9 OUTLIER -70.7 162.47 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 74.14 111.137 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 ' N ' HG13 ' A' ' 30' ' ' VAL . 68.2 t -119.35 149.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 71.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.859 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -143.1 97.38 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.51 111.144 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -98.3 128.4 49.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.105 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.593 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -99.67 86.61 3.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 62.33 110.867 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.647 ' C ' HG22 ' A' ' 36' ' ' THR . 24.2 m-85 -60.21 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.13 110.896 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.996 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.0 OUTLIER 168.32 135.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 71.02 111.173 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -72.58 -78.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.4 111.071 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 t -169.21 -37.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 71.24 110.859 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.9 p90 -111.6 -31.63 6.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.486 . . . . 75.32 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -72.13 113.99 9.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 73.43 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.63 113.4 0.54 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.692 -0.766 . . . . 71.23 112.447 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -50.69 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.638 2.226 . . . . 64.24 112.361 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 m 42.79 43.22 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -152.09 -52.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.908 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -78.56 -41.25 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.914 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.771 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -105.91 9.95 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 75.45 111.118 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.675 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.35 -55.17 45.15 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.593 0.711 . . . . 74.42 111.123 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.675 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.76 5.19 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.262 . . . . 75.41 112.388 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 5.0 t -100.08 -47.94 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 54.4 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.6 m-30 -64.22 -71.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.925 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.826 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.39 -49.24 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 62.15 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 3.4 pt-20 -61.54 -33.91 74.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.909 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.657 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 7.1 m-30 -69.17 -45.04 71.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 65.21 110.903 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.83 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -43.15 -43.13 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 74.21 111.053 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.973 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -80.04 -43.49 21.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 70.02 110.904 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt -53.53 -29.52 37.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.912 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.537 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 15.2 m-85 -111.76 89.2 10.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 74.11 110.852 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.88 17.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 73.34 112.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.767 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.81 17.89 52.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 62.02 112.48 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.89 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.36 167.78 22.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 54.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.627 HG12 ' HD3' ' A' ' 29' ' ' LYS . 16.9 m -101.29 -34.09 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 73.54 111.115 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.89 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 87.8 m-85 55.88 160.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.53 110.888 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.788 HD23 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER 164.36 150.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 72.14 110.887 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -126.09 128.26 47.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.54 110.839 179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.442 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -126.07 167.38 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.41 111.141 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.774 ' O ' HD23 ' A' ' 70' ' ' LEU . 30.2 t0 -113.0 123.55 50.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 71.44 110.855 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.996 HG22 ' O ' ' A' ' 36' ' ' THR . 10.3 m -82.03 32.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -124.34 -20.18 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 64.44 110.894 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -113.94 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 63.54 110.888 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.7 pt? -130.03 24.43 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -33.46 -33.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 73.03 110.889 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.8 pt-20 -38.03 -26.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.883 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' LYS . 59.5 t -82.63 -42.23 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 75.52 111.102 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -71.36 -24.07 62.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.158 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.85 -20.05 60.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.886 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.581 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -86.23 -31.59 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 65.54 110.909 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.581 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.3 m-85 -94.12 -15.78 24.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 74.34 110.916 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 69.36 71.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 61.24 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -100.39 -32.08 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 61.42 111.156 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.575 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.6 OUTLIER 87.29 -71.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.958 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 169.74 92.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 71.51 111.103 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.505 ' HE1' ' HB ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 176.88 165.51 0.47 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.564 0.697 . . . . 53.55 110.875 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.81 38.5 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.73 2.286 . . . . 52.43 112.331 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 84' ' ' THR . 0.7 OUTLIER -61.97 120.25 10.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.41 111.176 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -79.49 53.07 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 65.13 110.856 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.91 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -40.98 139.87 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 61.35 110.925 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.649 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 35.1 m-85 -116.94 146.18 43.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 65.23 110.904 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.725 HG12 HD11 ' A' ' 33' ' ' ILE . 7.5 mm -131.32 75.59 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 71.22 111.117 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.657 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 12.2 ttmt -77.32 122.73 25.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 65.42 110.923 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.3 t0 81.84 -9.38 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.87 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 98.97 43.39 2.63 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 52.42 112.483 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.4 ' N ' HG22 ' A' ' 88' ' ' ILE . . . -147.14 -86.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.739 0.304 . . . . 70.13 111.093 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -175.41 108.89 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 64.14 110.932 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -92.83 -31.89 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.01 111.093 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.542 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 4.3 m-20 157.04 -179.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.887 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.91 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -125.81 -172.2 2.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 71.1 110.888 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.802 HG12 ' N ' ' A' ' 98' ' ' VAL . 38.4 t -160.12 -95.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.144 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.802 ' N ' HG12 ' A' ' 97' ' ' VAL . 1.0 OUTLIER 156.22 141.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 43.55 111.091 179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -92.67 45.02 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.771 -0.728 . . . . 64.55 112.453 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.643 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.24 11.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 33.4 111.112 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 5.7 mpt_? -128.31 114.44 16.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 54.5 110.887 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -85.31 7.81 20.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.909 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 7.4 t70 -121.85 -9.02 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 75.01 110.919 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.448 ' HB3' HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -107.78 -23.19 12.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.845 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.597 HD22 ' CE1' ' A' ' 50' ' ' PHE . 36.1 tp -74.7 -77.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 61.53 110.935 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.844 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.75 -20.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.941 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.704 ' O ' HG22 ' A' ' 110' ' ' VAL . 3.6 t30 -78.64 -35.57 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.904 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.623 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -80.11 -42.01 24.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 71.13 111.164 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.537 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.3 mp -60.96 -26.73 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.55 111.136 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.1 m -78.92 -29.53 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 72.31 111.092 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.428 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.86 -28.76 35.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.882 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.803 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.9 m-70 -100.34 -46.75 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 74.14 110.875 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -95.29 -31.01 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.119 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.51 -15.12 81.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 63.05 112.48 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 116' ' ' THR . . . 44.13 34.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 42.33 111.052 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 115' ' ' ALA . 22.6 p -156.93 -35.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 62.51 111.146 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.752 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 58.31 153.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 42.1 111.096 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.29 94.34 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.42 111.091 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.4 m 40.78 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 72.25 110.893 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -118.28 149.78 40.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 65.5 111.046 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.33 32.89 11.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.51 110.825 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 65.54 111.073 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.331 . . . . 74.51 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -115.74 -19.31 10.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 55.04 111.079 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.32 42.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 53.41 111.077 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 60.1 93.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 65.04 110.894 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 3.7 mm-40 -91.04 -159.44 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 71.22 110.914 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.53 26.39 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 43.3 112.503 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -104.87 177.6 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 70.34 111.159 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG1' ' HB2' ' A' ' 54' ' ' ALA . 31.8 m -49.61 97.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 73.14 111.119 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.611 HG22 ' N ' ' A' ' 10' ' ' ALA . 13.2 mm -49.46 168.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 51.15 111.158 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.775 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -144.06 93.22 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.108 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' HB2' ' N ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -62.59 -179.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 71.42 110.891 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CD2' ' OE1' ' A' ' 69' ' ' GLU . 0.9 OUTLIER 179.59 28.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.86 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.4 p-10 173.03 29.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 71.31 110.868 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.569 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.16 -70.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 70.52 110.932 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -31.72 -36.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.12 110.89 179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 14' ' ' LYS . 3.1 mt-10 -82.33 -43.24 17.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 73.21 110.907 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -54.5 -49.47 70.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 74.42 110.887 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.525 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -58.87 -33.32 70.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.86 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' C ' ' NE2' ' A' ' 20' ' ' GLN . . . -47.66 -18.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 73.43 111.078 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' NE2' ' C ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -107.11 -54.07 2.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 51.52 110.873 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.598 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.84 -21.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.884 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -88.5 -30.74 19.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 72.04 111.109 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.6 mppt? -81.93 24.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.897 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -122.83 -43.36 2.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 73.02 111.095 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -71.75 -39.17 70.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.938 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -89.13 -39.05 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.909 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 23' ' ' LYS . . . -65.87 -30.2 70.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 63.55 111.093 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.42 38.15 7.83 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 63.42 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HD2' ' CG1' ' A' ' 61' ' ' VAL . 8.8 ptpt -134.77 155.14 51.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 73.34 110.896 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -65.48 161.41 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 74.35 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.596 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 40.9 t -113.66 142.93 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 54.42 111.158 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.85 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 2.2 mp -141.17 96.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.41 111.136 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.779 HD11 HG12 ' A' ' 88' ' ' ILE . 0.4 OUTLIER -99.06 127.71 51.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 71.02 111.099 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.612 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 12.4 t70 -101.57 88.18 3.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.873 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 74' ' ' ALA . 34.1 m-85 -61.3 -165.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 73.14 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 162.68 145.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 61.23 111.151 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 81' ' ' ALA . . . -83.08 -64.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 64.25 111.124 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 t -176.83 -31.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.35 110.844 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 22.5 p90 -126.43 -45.35 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 75.31 110.92 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 3.9 t -38.93 127.49 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 70.3 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.38 141.15 8.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 72.41 112.503 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -45.39 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 74.15 112.322 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.5 t 50.39 43.6 26.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 73.03 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -160.37 -51.14 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.896 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -75.54 -46.37 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 75.51 110.878 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.73 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 1.2 tt -92.33 -5.09 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 75.32 111.12 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.635 ' N ' ' HD2' ' A' ' 48' ' ' PRO . . . -47.95 -52.11 42.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 40.42 111.118 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 47' ' ' ALA . 54.4 Cg_endo -69.75 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 72.15 112.351 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.989 HG21 ' HD2' ' A' ' 102' ' ' LYS . 0.7 OUTLIER -97.68 -41.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 71.24 111.103 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.732 ' CE1' HD22 ' A' ' 105' ' ' LEU . 19.2 m-30 -64.83 -73.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 61.03 110.88 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.4 -51.72 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 44.44 111.113 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 5.8 pt-20 -55.01 -39.23 68.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 73.41 110.91 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.718 ' CZ ' HG22 ' A' ' 49' ' ' VAL . 13.0 m-30 -66.21 -48.93 69.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.934 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.38 -44.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.109 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 9.3 mtpp -81.83 -44.81 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.906 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.36 -29.26 58.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 62.01 110.932 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.578 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.4 m-85 -110.95 85.47 5.14 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.666 0.746 . . . . 73.2 110.858 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -3.26 11.67 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.634 2.223 . . . . 60.15 112.352 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.596 ' C ' HG13 ' A' ' 113' ' ' VAL . . . -91.68 15.08 62.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 52.04 112.465 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.875 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.0 168.91 19.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.352 . . . . 71.11 111.106 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 29' ' ' LYS . 15.8 m -98.59 -34.83 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.153 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.875 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 76.2 m-85 56.35 159.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.727 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 159.07 148.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.891 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.775 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -112.47 137.33 50.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.867 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.745 HG13 HD21 ' A' ' 70' ' ' LEU . 75.0 t -120.14 152.81 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 72.14 111.129 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.874 ' O ' HD23 ' A' ' 70' ' ' LEU . 26.0 t0 -111.38 112.12 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 65.4 110.853 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.881 HG22 ' O ' ' A' ' 36' ' ' THR . 2.6 m -79.94 32.03 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.01 -12.73 6.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 71.4 110.836 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.535 ' OE1' ' CD2' ' A' ' 12' ' ' HIS . 13.5 pt-20 -126.25 -31.48 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.876 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.874 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.8 pt? -131.57 24.0 4.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.939 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.23 -35.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 54.42 110.903 179.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.9 pt-20 -34.84 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 72.02 110.902 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' LYS . 86.3 t -77.83 -47.58 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.184 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.659 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 63.24 111.091 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.21 -26.76 66.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.893 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.522 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -78.9 -33.43 45.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 71.04 110.904 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.572 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 22.4 m-85 -93.86 -17.81 22.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 64.52 110.945 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 7.9 t-20 72.93 72.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.45 110.869 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.657 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -108.01 -28.11 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 45.21 111.109 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 83.67 -70.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 72.22 110.888 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.874 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 172.09 60.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 73.45 111.108 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.545 ' HE2' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -140.47 164.17 38.62 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 63.25 110.882 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.8 Cg_endo -69.78 19.26 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 73.32 112.352 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.575 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.8 OUTLIER -44.19 126.21 4.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.131 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.737 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -86.6 46.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 71.13 110.841 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -32.14 145.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.951 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.642 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 30.9 m-85 -124.39 139.42 53.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.828 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.779 HG12 HD11 ' A' ' 33' ' ' ILE . 9.8 mm -127.12 74.01 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 73.32 111.109 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 8.5 ttmt -75.28 123.8 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 61.12 110.9 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.9 t70 81.35 -15.31 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.13 110.89 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.61 42.88 1.65 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 64.25 112.461 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -144.35 -87.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 75.1 111.107 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -178.68 103.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 74.42 110.875 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.562 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.13 -34.72 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.1 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER 159.27 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.901 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.575 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.22 171.56 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 64.12 110.913 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.828 ' O ' HG23 ' A' ' 98' ' ' VAL . 42.9 t -141.39 -97.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 51.23 111.13 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.97 128.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.14 111.143 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.39 46.09 2.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 50.53 112.498 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.507 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -157.41 16.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.745 0.307 . . . . 61.21 111.065 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.482 ' HD3' HG11 ' A' ' 98' ' ' VAL . 9.5 mpt_? -126.19 115.02 19.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 71.03 110.861 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.989 ' HD2' HG21 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -88.58 7.75 31.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 51.05 110.914 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -124.08 -10.47 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 64.14 110.886 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.452 ' HB3' HG13 ' A' ' 97' ' ' VAL . 2.8 t0 -109.57 -36.2 6.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 71.03 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.732 HD22 ' CE1' ' A' ' 50' ' ' PHE . 11.0 tp -66.04 -77.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 73.21 110.915 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.751 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 0.6 OUTLIER -48.43 -18.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 64.53 110.888 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.799 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.8 m-80 -83.05 -32.37 26.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.84 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.547 ' CG2' ' CD2' ' A' ' 112' ' ' HIS . 19.3 m -80.04 -41.42 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.23 111.128 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.602 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.1 mp -57.73 -28.43 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.21 111.134 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.799 HG22 ' O ' ' A' ' 107' ' ' ASN . 26.0 m -77.51 -26.45 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.189 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.418 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 3.1 ptmt -84.12 -28.16 27.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 72.2 110.912 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.695 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.2 m-70 -100.83 -47.79 4.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.854 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.596 HG13 ' C ' ' A' ' 59' ' ' GLY . 11.9 t -94.27 -30.66 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 74.11 111.161 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.77 -10.72 86.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 53.22 112.502 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.45 42.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.879 0.371 . . . . 73.43 111.103 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 99.3 m -164.2 -34.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 62.31 111.117 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.738 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 55.86 174.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 52.15 111.094 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.6 -48.13 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 75.42 111.135 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.6 t -156.17 99.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 54.15 110.893 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.0 158.24 20.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 63.31 111.086 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.6 37.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 75.15 110.842 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 73.2 111.089 179.917 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.588 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 2.9 ptt? . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.745 0.307 . . . . 73.2 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 77.04 -72.05 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 65.13 111.109 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 55.25 48.01 20.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 60.53 111.12 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 62.15 107.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.926 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -110.25 -147.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 63.24 110.854 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.15 27.62 3.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 63.45 112.492 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.834 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -105.91 170.95 2.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 72.03 111.14 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.869 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.6 m -47.6 93.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 61.22 111.157 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.603 HG22 ' N ' ' A' ' 10' ' ' ALA . 14.1 mm -43.05 167.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.131 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -136.24 80.25 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 73.32 111.113 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -64.65 159.27 22.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.895 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.477 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 1.6 t60 -165.43 37.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.858 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.579 ' C ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER 176.94 25.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 52.12 110.866 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 64.72 -70.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 61.21 110.871 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -31.45 -37.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 72.25 110.854 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.03 -43.68 17.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 61.34 110.87 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.617 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -52.73 -40.15 62.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.885 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -66.28 -45.37 80.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.883 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' ASP . . . -36.86 -27.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 74.52 111.086 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 18' ' ' ASP . 16.5 mp0 -102.65 -44.51 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.914 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.627 ' HE2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -51.98 -35.16 45.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 72.2 110.857 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -88.97 -19.49 25.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 74.14 111.129 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.21 23.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.02 110.887 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.657 ' CB ' HG23 ' A' ' 31' ' ' VAL . . . -123.51 -44.62 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 73.2 111.123 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -67.55 -45.62 75.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.912 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.68 -42.29 61.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.862 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.78 -26.33 63.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 61.24 111.093 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.75 36.21 12.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 53.21 112.533 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.624 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -129.54 157.41 42.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 63.02 110.88 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 31' ' ' VAL . 1.0 OUTLIER -68.99 163.04 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 52.24 111.14 179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.657 HG23 ' CB ' ' A' ' 24' ' ' ALA . 24.5 t -116.95 147.84 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.04 111.142 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.874 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.0 mp -142.73 97.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.2 111.128 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.738 HD11 HG12 ' A' ' 88' ' ' ILE . 0.5 OUTLIER -96.56 125.87 49.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.34 111.128 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.481 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -104.93 89.97 3.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.873 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.824 ' CD2' HG11 ' A' ' 79' ' ' VAL . 49.1 m-85 -60.24 -164.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.865 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 65' ' ' VAL . 0.4 OUTLIER 161.58 129.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 62.11 111.18 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.66 -71.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 71.32 111.074 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.66 -37.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 71.35 110.833 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -131.91 -35.57 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.917 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -37.66 -39.49 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.4 110.869 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.66 136.32 15.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 74.21 112.473 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -51.32 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.726 2.284 . . . . 73.44 112.343 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 46.51 43.14 11.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 52.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.01 -60.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.937 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -69.45 -42.88 74.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.45 110.871 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.783 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.1 tt -102.38 10.8 8.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.104 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.635 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.65 -54.23 55.96 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 63.03 111.107 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.74 5.76 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 71.21 112.315 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.536 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 6.1 t -101.53 -46.92 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 75.13 111.118 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.783 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.3 m-30 -64.83 -70.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 54.33 110.923 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -50.21 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 50.34 111.058 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.6 pt-20 -58.85 -34.94 72.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 65.32 110.884 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 7.1 m-30 -69.52 -48.77 59.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.943 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.811 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -38.99 -45.41 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 62.3 111.121 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.834 ' HD2' HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -75.57 -40.52 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.865 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -57.72 -28.24 63.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 45.11 110.91 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.546 ' CE1' HG22 ' A' ' 109' ' ' ILE . 19.3 m-85 -113.08 88.14 11.74 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.649 0.738 . . . . 70.42 110.834 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.56 26.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.658 2.239 . . . . 64.24 112.344 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.636 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -87.06 18.7 34.51 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 52.31 112.483 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.907 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.06 163.67 35.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 74.04 111.082 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.624 HG12 ' HD3' ' A' ' 29' ' ' LYS . 24.7 m -94.02 -35.91 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 53.52 111.131 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.907 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.1 m-85 57.11 158.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.863 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 160.01 147.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 52.21 110.927 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -112.47 137.1 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.03 110.916 179.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.777 HG13 HD21 ' A' ' 70' ' ' LEU . 77.6 t -117.69 158.95 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 71.22 111.139 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.892 ' O ' HD23 ' A' ' 70' ' ' LEU . 19.6 t70 -114.32 104.24 11.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 61.23 110.859 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.791 HG12 ' HB2' ' A' ' 74' ' ' ALA . 13.4 m -76.94 37.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.117 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -127.61 -22.29 3.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 62.21 110.859 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE2' ' C ' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -121.08 -30.17 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 62.31 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.892 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.1 pt? -126.95 22.66 6.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.43 110.886 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.77 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.0 110.887 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.4 pt-20 -35.11 -28.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.91 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 71' ' ' LYS . 65.0 t -78.6 -49.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 65.4 111.165 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.791 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -63.48 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 50.21 111.105 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.22 65.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 74.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -83.57 -33.84 25.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.898 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.774 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.3 m-85 -93.6 -15.49 25.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.447 . . . . 63.22 110.904 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 63.4 66.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 70.15 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.824 HG11 ' CD2' ' A' ' 35' ' ' PHE . 1.4 m -89.21 -44.11 15.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 64.13 111.129 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.681 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 1.0 OUTLIER 98.86 26.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 72.25 110.914 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.785 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 63.25 99.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 63.41 111.103 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.518 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 171.75 168.99 0.22 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 64.13 110.92 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.579 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.8 Cg_endo -69.79 37.97 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.695 2.263 . . . . 75.15 112.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.563 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -62.27 121.29 12.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.23 111.117 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.617 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 1.1 m-85 -80.36 40.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.893 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.753 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.81 144.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 44.45 110.946 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.617 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 32.4 m-85 -122.88 143.41 49.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.854 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.774 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 12.7 mm -129.51 74.44 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.14 111.137 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 7.8 ttmm -77.62 122.97 26.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.25 110.91 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.4 t0 83.25 -7.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 75.31 110.809 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.44 3.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 43.45 112.471 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -148.25 -86.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.746 0.308 . . . . 71.33 111.098 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -177.99 104.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 75.1 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.774 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -86.43 -32.91 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 43.11 111.106 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.2 m-20 160.08 179.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.873 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.753 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -135.4 172.05 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 61.22 110.928 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 98' ' ' VAL . 55.2 t -145.2 -100.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 60.43 111.123 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 167.38 145.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 72.44 111.134 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.68 49.87 2.31 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.73 . . . . 52.11 112.473 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.532 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -154.11 15.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 43.4 111.107 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -128.71 114.86 17.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 72.25 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.504 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -86.64 13.17 9.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.55 110.909 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -130.9 -3.45 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 64.25 110.875 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -113.04 -32.07 6.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.863 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.679 HD12 ' CD1' ' A' ' 109' ' ' ILE . 8.7 tp -64.66 -74.21 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 64.42 110.922 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.809 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.83 -30.66 6.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.95 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.626 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 t30 -69.75 -31.48 69.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.87 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.573 HG21 ' CE1' ' A' ' 87' ' ' PHE . 23.4 m -82.66 -43.44 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 63.55 111.144 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.679 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -60.11 -26.71 37.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.52 111.1 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.2 m -78.76 -29.64 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 64.21 111.143 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.48 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -80.69 -26.99 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 64.24 110.854 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.591 ' HB3' HG21 ' A' ' 30' ' ' VAL . 20.6 m-70 -103.12 -47.57 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 74.14 110.865 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -93.99 -29.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.155 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.37 -14.41 81.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 65.34 112.478 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 43.3 42.57 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 42.24 111.113 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 m -165.48 -35.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 64.14 111.114 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.724 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 55.0 -170.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 65.23 111.101 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -104.77 -80.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 73.31 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 33.0 t -160.33 130.84 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.871 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 59.96 -179.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 75.21 111.077 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 35.2 p -100.22 -49.67 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 55.13 110.865 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 71.41 111.092 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 62.14 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 3' ' ' ALA . . . -117.57 -16.94 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 75.15 111.121 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' ALA . . . 33.7 41.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 72.42 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' CG ' HD12 ' A' ' 9' ' ' ILE . 0.8 OUTLIER 59.06 90.04 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 74.52 110.925 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -88.74 -158.79 0.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 53.25 110.89 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.24 27.31 3.63 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.718 -0.753 . . . . 52.23 112.454 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.917 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.3 m -109.51 178.08 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 62.42 111.168 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.925 HG22 ' HA ' ' A' ' 51' ' ' ALA . 15.8 m -44.15 92.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 74.5 111.116 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 10' ' ' ALA . 46.2 mm -38.16 158.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 73.51 111.15 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -120.6 73.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 63.0 111.073 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.029 ' HB2' HD11 ' A' ' 63' ' ' LEU . 38.3 t -47.62 -102.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.911 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 66' ' ' ASP . 7.4 m80 63.72 27.15 14.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.864 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 15' ' ' ASP . 19.2 t30 -160.97 11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 64.15 110.899 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.582 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER 59.71 -73.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.843 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -30.5 -37.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.852 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -80.77 -43.1 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 65.12 110.863 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.91 -42.26 47.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.89 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.6 m-20 -68.15 -35.91 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 71.24 110.865 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.79 67.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 62.41 111.072 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -87.41 -50.6 6.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.901 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.476 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -51.04 -26.7 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.01 110.856 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -91.81 -21.42 20.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 61.23 111.133 -179.91 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -83.16 20.44 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.855 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -121.33 -44.91 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.35 111.123 179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -65.33 -42.26 93.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.881 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -85.88 -41.26 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 74.2 110.912 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.2 -30.69 71.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 61.43 111.113 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.98 35.57 8.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 62.53 112.544 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HD2' HG12 ' A' ' 61' ' ' VAL . 9.3 ptpt -134.65 161.14 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 73.24 110.895 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.793 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -72.54 161.84 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.129 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.59 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 45.5 t -112.55 144.67 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 52.11 111.124 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.18 97.64 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 72.41 111.126 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.974 HG23 HD23 ' A' ' 63' ' ' LEU . 0.4 OUTLIER -99.97 122.55 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.123 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.672 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -97.88 93.52 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.891 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.9 ' CD2' HG11 ' A' ' 79' ' ' VAL . 36.6 m-85 -63.89 -165.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.862 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.692 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.1 OUTLIER 159.08 137.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 61.35 111.104 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.416 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . . . -80.15 -69.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 71.54 111.109 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.5 t -179.34 -48.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.01 110.886 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -97.88 -44.26 6.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 71.32 110.935 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 37' ' ' ALA . 22.2 p -51.6 171.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 74.3 110.855 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.92 139.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 75.52 112.53 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -51.39 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 53.14 112.323 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 54.88 44.25 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.863 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mtm-85 -164.71 -55.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.24 110.841 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.33 -42.49 88.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.45 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.779 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.1 tt -102.98 10.29 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 45.12 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.653 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.84 -54.66 51.8 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 71.1 111.111 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 75.53 112.362 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.9 t -101.93 -47.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.105 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.779 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.8 m-30 -63.06 -69.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.42 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.925 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.04 -47.78 44.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 73.31 111.095 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -63.61 -32.0 73.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 64.13 110.929 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.4 m-30 -72.7 -44.24 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 62.21 110.943 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.653 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -42.47 -42.68 3.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 74.54 111.136 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.917 ' HD2' HG12 ' A' ' 7' ' ' VAL . 16.0 mtpp -78.17 -41.57 34.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.88 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 5.1 mtmt -54.89 -28.31 49.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.51 110.921 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.654 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 13.6 m-85 -113.22 87.92 11.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.657 0.742 . . . . 73.44 110.899 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -3.95 13.08 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.647 2.231 . . . . 65.33 112.324 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.797 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -92.32 20.09 45.94 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.696 -0.764 . . . . 74.54 112.462 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.23 164.37 34.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 31.2 111.09 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' HD2' ' A' ' 29' ' ' LYS . 28.8 m -93.42 -37.18 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.091 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 81.6 m-85 58.74 145.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 55.31 110.891 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.029 HD11 ' HB2' ' A' ' 11' ' ' CYS . 0.1 OUTLIER 176.98 146.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.94 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' N ' ' HG ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.07 126.29 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.89 179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -121.35 173.5 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 75.14 111.145 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.853 ' O ' HD23 ' A' ' 70' ' ' LEU . 28.6 t70 -118.88 121.05 39.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.93 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.899 HG21 ' HA ' ' A' ' 81' ' ' ALA . 17.9 m -82.76 30.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 70.23 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.94 -22.99 6.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 64.33 110.912 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 12' ' ' HIS . 12.4 pt-20 -115.12 -37.94 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 44.01 110.857 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.853 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -120.48 22.87 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 53.34 110.901 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -31.28 -35.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.921 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.543 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.9 pt-20 -35.55 -28.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.909 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.553 ' N ' ' O ' ' A' ' 71' ' ' LYS . 70.0 t -79.69 -46.8 22.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 71.43 111.079 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.936 ' HB1' ' CG2' ' A' ' 79' ' ' VAL . . . -65.55 -29.41 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.144 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.67 -21.82 66.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.883 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.75 -37.53 35.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.476 . . . . 75.54 110.902 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.706 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 20.4 m-85 -91.73 -14.91 29.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.951 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 61.52 69.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 73.44 110.905 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.936 ' CG2' ' HB1' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -83.52 -96.25 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 65.22 111.125 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' CG ' ' O ' ' A' ' 79' ' ' VAL . 0.3 OUTLIER 154.2 37.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 60.14 110.92 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.899 ' HA ' HG21 ' A' ' 67' ' ' VAL . . . 51.09 63.85 2.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.053 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.52 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -154.25 171.08 7.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 51.31 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.9 Cg_endo -69.74 18.91 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.676 2.251 . . . . 73.51 112.317 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.889 HG21 HG12 ' A' ' 79' ' ' VAL . 0.9 OUTLIER -43.75 127.82 5.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 74.32 111.149 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.672 ' CE1' ' CG ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -90.14 55.75 3.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 72.23 110.869 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.906 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -45.44 142.74 2.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 64.3 110.916 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.665 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 37.8 m-85 -120.52 145.93 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.863 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.776 HG12 HD11 ' A' ' 33' ' ' ILE . 10.5 mm -132.0 75.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.33 111.1 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.863 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpp -76.63 122.36 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 60.25 110.899 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 4.9 t0 83.32 -18.07 0.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 75.43 110.855 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 109.54 43.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 72.25 112.522 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -146.97 -87.68 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.736 0.303 . . . . 54.34 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -174.5 105.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.881 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.863 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -87.79 -31.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.52 111.107 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 3.2 m-20 157.23 -177.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.842 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.906 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -127.17 -169.33 2.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 61.23 110.918 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.863 HG12 ' N ' ' A' ' 98' ' ' VAL . 35.7 t -161.37 -96.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.177 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.863 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 156.46 124.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 71.52 111.075 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.19 43.72 2.05 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 65.43 112.503 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.14 12.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.316 . . . . 63.44 111.156 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -126.07 114.54 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.914 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HA ' HD11 ' A' ' 46' ' ' ILE . 3.3 tmtt? -84.64 7.61 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 71.54 110.891 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.44 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 25.7 t0 -124.87 -8.92 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.881 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.408 ' HB3' HG13 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -107.22 -21.49 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 65.4 110.875 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 50' ' ' PHE . 23.5 tp -74.79 -75.83 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 64.44 110.91 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.899 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.29 -24.76 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.906 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.4 m-80 -74.0 -35.57 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 54.24 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.647 HG21 ' CE1' ' A' ' 87' ' ' PHE . 8.0 m -79.72 -43.42 22.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 65.21 111.157 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.574 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.3 mp -59.4 -27.14 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 64.01 111.098 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.899 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.3 m -78.39 -28.66 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 70.2 111.079 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -82.0 -29.19 32.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.0 110.882 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.793 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.8 m-70 -99.68 -47.62 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.831 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -94.48 -30.52 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.129 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.46 -11.35 85.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.772 -0.728 . . . . 74.15 112.51 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 39.81 38.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 64.43 111.093 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 71.7 m -158.75 -35.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 72.4 111.157 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.759 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 53.5 93.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 41.43 111.068 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -37.81 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 45.41 111.081 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 75.9 p -145.17 140.51 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 64.23 110.849 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.29 165.55 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 64.0 111.098 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.4 t -172.79 88.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 63.03 110.88 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 44.15 111.039 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 2' ' ' ALA . 3.0 mpp? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.799 0.333 . . . . 70.43 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.439 ' HB1' ' CG ' ' A' ' 5' ' ' GLU . . . 34.55 -107.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 72.32 111.132 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 54.93 12.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 63.02 111.111 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -179.8 57.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 54.12 110.927 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 1.1 mm-40 -97.1 -146.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 40.22 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.68 17.07 9.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 41.14 112.521 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.966 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -102.38 175.62 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 71.32 111.118 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.1 m -50.24 94.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.34 111.154 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.643 HG22 ' N ' ' A' ' 10' ' ' ALA . 37.8 mm -42.41 166.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 72.14 111.088 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.643 ' N ' HG22 ' A' ' 9' ' ' ILE . . . -135.4 74.69 1.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 62.44 111.121 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -64.47 161.5 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 65.03 110.929 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.562 ' CD2' ' O ' ' A' ' 11' ' ' CYS . 77.7 m-70 -167.23 34.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.856 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.497 ' C ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -178.09 25.16 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.862 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER 65.35 -68.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.04 110.925 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -28.76 -41.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 61.41 110.82 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.4 mt-10 -80.61 -43.53 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 71.12 110.883 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -51.35 -42.08 61.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.851 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.636 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.56 -46.64 81.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 75.55 110.909 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -39.57 -25.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.099 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -100.41 -53.28 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.92 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.513 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -48.23 -19.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.893 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.46 -21.85 14.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 72.11 111.119 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 7.2 mttt -84.22 26.98 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 75.12 110.855 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.454 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -132.42 -42.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 72.15 111.068 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.87 -39.75 87.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 75.13 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -81.66 -40.82 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 72.1 110.879 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.602 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -69.32 -26.38 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 63.2 111.102 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.07 35.02 10.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 71.4 112.425 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.602 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -125.8 169.8 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.807 0.337 . . . . 72.33 110.896 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -81.79 161.92 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 64.43 111.098 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.578 ' N ' HG13 ' A' ' 30' ' ' VAL . 38.6 t -116.25 146.07 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 62.31 111.146 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.851 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.8 mp -142.27 97.71 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 70.11 111.134 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.917 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -97.26 133.03 40.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.3 111.132 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.566 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -109.18 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 62.35 110.859 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.668 ' CE2' HG11 ' A' ' 79' ' ' VAL . 59.5 m-85 -69.04 -161.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 55.5 110.877 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.652 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER 163.13 121.42 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 75.12 111.171 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . . . -58.92 -53.33 59.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 72.4 111.112 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.14 -53.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.841 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -71.5 -45.7 61.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.941 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 47.1 t 65.43 145.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 54.34 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.71 -97.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 43.22 112.458 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 54.0 Cg_endo -69.72 -90.86 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.255 . . . . 54.25 112.347 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 42' ' ' PRO . 1.7 t 80.44 -4.8 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 72.24 110.916 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -130.57 -34.5 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.853 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -79.58 -40.9 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.889 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.701 HG23 ' CE2' ' A' ' 50' ' ' PHE . 5.1 tt -103.42 9.4 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.12 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.62 -55.19 45.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.611 0.719 . . . . 53.42 111.142 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.79 5.67 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 72.41 112.353 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' CG ' ' A' ' 53' ' ' TYR . 2.6 t -100.5 -48.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.167 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CE2' HG23 ' A' ' 46' ' ' ILE . 23.7 m-85 -62.64 -71.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 74.03 110.832 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.831 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -46.47 -50.9 16.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.116 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.1 pt-20 -60.37 -33.87 73.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 61.55 110.926 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 49' ' ' VAL . 5.3 m-30 -70.36 -43.59 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.34 110.939 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.819 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -44.95 -43.02 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 64.24 111.098 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.966 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.0 mtpp -78.85 -42.76 26.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 71.05 110.902 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 1.6 mtmt -54.9 -28.29 49.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 70.42 110.917 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.537 ' CE1' HG22 ' A' ' 109' ' ' ILE . 15.1 m-85 -113.06 88.69 12.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.652 0.739 . . . . 61.11 110.841 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -4.39 13.91 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 42.21 112.385 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.808 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -91.71 20.4 42.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.683 -0.77 . . . . 60.43 112.517 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.899 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.42 169.1 21.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 71.11 111.1 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.504 ' CG1' ' HD3' ' A' ' 29' ' ' LYS . 34.6 m -102.68 -34.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 54.43 111.125 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.899 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 85.5 m-85 56.12 161.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.85 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.917 HD23 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 161.83 147.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.928 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.22 133.95 54.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.882 179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -127.98 168.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.107 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.803 ' O ' HD23 ' A' ' 70' ' ' LEU . 11.6 t0 -114.01 120.61 41.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 52.11 110.844 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.874 HG12 ' HB2' ' A' ' 74' ' ' ALA . 11.8 m -79.2 38.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 74.41 111.11 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -128.71 -17.83 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.2 110.829 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -120.11 -32.23 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.41 110.903 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -126.19 25.05 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 63.53 110.952 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -34.44 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 75.42 110.891 179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.6 pt-20 -43.04 -22.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 76' ' ' LYS . 46.1 t -93.53 -29.03 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 63.2 111.085 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.874 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -83.17 -7.81 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 53.51 111.098 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -104.23 -21.0 13.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 63.33 110.901 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.64 ' CD ' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -82.81 -23.97 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.874 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' A' ' 76' ' ' LYS . 17.0 m-85 -101.45 -23.09 14.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 71.02 110.885 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 5.3 t-20 82.46 73.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.873 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.668 HG11 ' CE2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -102.41 -32.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 74.34 111.125 179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER 89.73 -74.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.24 110.88 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 172.64 86.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 71.21 111.082 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.567 ' HB2' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 177.01 167.84 0.45 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.725 . . . . 75.22 110.859 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' ' 82' ' ' MET . 54.0 Cg_endo -69.73 40.03 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 72.5 112.385 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -54.56 126.85 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 71.01 111.112 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.687 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -83.19 39.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.916 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.57 ' H ' HG22 ' A' ' 84' ' ' THR . 0.0 OUTLIER -32.35 143.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 70.23 110.884 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 29.2 m-85 -121.81 148.28 44.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.3 110.87 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.738 HG12 HD11 ' A' ' 33' ' ' ILE . 7.7 mm -131.77 72.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 55.42 111.113 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.747 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 5.5 ttmm -75.16 122.97 24.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 64.21 110.86 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.6 t70 82.87 -10.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.831 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.74 41.61 2.65 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 42.32 112.482 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.45 -85.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 75.32 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -176.09 111.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.928 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.747 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -96.11 -29.96 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 43.41 111.106 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.7 m-20 158.72 179.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.13 110.849 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.576 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.62 170.16 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 75.32 110.9 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 98' ' ' VAL . 54.0 t -141.76 -100.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.51 111.132 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER 165.2 138.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 63.42 111.197 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -84.51 48.6 4.08 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 62.22 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.488 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -158.87 17.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.751 0.31 . . . . 60.22 111.101 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -128.48 100.38 5.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 71.13 110.867 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -75.7 4.46 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 53.52 110.876 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -121.83 -7.29 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 52.15 110.854 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -113.2 -15.79 12.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.862 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.687 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 11.4 tp -76.09 -76.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.805 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -49.11 -29.77 5.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 71.24 110.921 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.59 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.9 t30 -67.21 -32.54 73.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.901 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.615 HG21 ' CE1' ' A' ' 87' ' ' PHE . 11.8 m -83.72 -43.16 15.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.151 -0.477 . . . . 71.43 111.171 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.594 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.5 mp -59.83 -26.95 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 74.52 111.165 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 106' ' ' GLN . 34.9 m -78.13 -31.26 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 71.0 111.122 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.429 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -78.77 -29.59 45.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.913 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.815 ' HB3' HG21 ' A' ' 30' ' ' VAL . 22.2 m-70 -99.59 -47.78 4.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.863 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.808 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.8 t -94.25 -30.21 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 70.34 111.142 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 110' ' ' VAL . . . -79.8 -12.36 83.61 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 74.2 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 41.11 25.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 62.2 111.125 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 114' ' ' GLY . 83.8 m -144.16 -35.46 0.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 74.11 111.138 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.73 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 57.24 -175.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 24.32 111.094 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -130.98 81.57 2.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.3 111.09 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 m 51.43 43.75 29.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.884 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.89 146.18 25.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 71.44 111.092 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.6 m -134.96 89.07 2.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.918 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 73.34 111.137 179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 71.12 110.911 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 69.93 0.57 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 62.15 111.087 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.91 -8.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.102 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HG2' HD12 ' A' ' 9' ' ' ILE . 65.6 tt0 -176.41 78.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 41.23 110.872 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' HA ' ' A' ' 2' ' ' ALA . 1.9 mm-40 -90.07 -157.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 54.14 110.911 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.65 16.52 14.15 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 63.54 112.53 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.996 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -96.41 179.96 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 71.42 111.135 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.88 HG22 ' HA ' ' A' ' 51' ' ' ALA . 26.8 m -48.79 90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 75.01 111.119 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.62 HG22 ' N ' ' A' ' 10' ' ' ALA . 43.7 mm -41.13 164.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.35 111.179 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.674 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -134.3 87.03 2.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 70.22 111.092 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.51 ' HB3' ' N ' ' A' ' 17' ' ' PHE . 60.2 m -103.02 118.6 37.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.874 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -125.84 43.98 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 73.13 110.867 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.537 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 8.0 t30 -160.36 18.93 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.922 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.691 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 63.24 -72.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 72.3 110.91 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -34.43 -34.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.887 179.865 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' C ' ' HG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.65 -37.87 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 73.45 110.859 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.05 -34.91 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.88 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.511 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -66.78 -32.3 73.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.482 . . . . 73.41 110.885 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.78 -18.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.25 111.084 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.428 ' CD ' HG13 ' A' ' 9' ' ' ILE . 2.3 mp0 -109.13 -54.53 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.22 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 1.026 ' SD ' HG11 ' A' ' 31' ' ' VAL . 2.5 tpp -48.76 -20.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 64.41 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -95.51 -27.22 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 65.21 111.115 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -74.46 9.62 1.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 62.5 110.936 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -108.44 -44.14 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.113 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -68.77 -36.75 78.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 65.55 110.883 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -75.06 -44.21 48.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.914 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.61 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -78.21 -22.12 48.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.04 111.115 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.71 37.24 20.42 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 44.54 112.504 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.811 ' HD3' HG12 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -122.31 164.31 18.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 73.2 110.928 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 89' ' ' LYS . 1.1 t -75.78 159.92 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 75.34 111.16 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 1.026 HG11 ' SD ' ' A' ' 21' ' ' MET . 70.8 t -118.7 145.54 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 72.33 111.131 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.737 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.3 mp -135.86 99.18 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 50.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 88' ' ' ILE . 0.2 OUTLIER -97.55 120.55 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 72.42 111.126 179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.594 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -92.46 90.17 7.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 71.35 110.877 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.759 ' CD2' HG11 ' A' ' 79' ' ' VAL . 18.8 m-85 -64.71 -167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.23 110.899 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.789 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER 163.22 128.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 63.35 111.107 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 38' ' ' SER . . . -59.56 -54.38 47.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 52.11 111.095 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 t 161.23 -36.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 74.22 110.827 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.427 ' CG ' ' N ' ' A' ' 40' ' ' CYS . 27.3 p90 -115.41 -45.3 2.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.922 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' CG ' ' A' ' 39' ' ' TRP . 3.1 t -57.31 129.32 41.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 64.11 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 126.91 139.84 5.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 64.24 112.501 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.631 2.22 . . . . 74.54 112.313 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.69 46.86 14.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.841 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -167.75 -51.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.01 110.877 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.23 -43.43 67.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 75.01 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.78 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.4 tt -103.43 10.04 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 74.54 111.115 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.652 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.12 -54.66 50.16 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 73.52 111.082 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.79 6.39 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 75.54 112.355 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.603 HG13 ' CE2' ' A' ' 53' ' ' TYR . 3.7 t -102.54 -48.59 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 72.21 111.117 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.78 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 14.0 m-30 -61.91 -69.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.13 110.885 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.88 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -49.53 -49.82 44.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 72.24 111.114 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.4 pt-20 -60.98 -29.24 69.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 71.42 110.847 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CE2' HG13 ' A' ' 49' ' ' VAL . 6.6 m-30 -75.61 -45.9 34.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 73.31 110.898 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.771 ' HB2' HG13 ' A' ' 8' ' ' VAL . . . -40.62 -40.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 54.23 111.109 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.996 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.2 mtpp -80.51 -43.65 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.04 110.908 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -49.4 -33.89 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 61.31 110.906 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.0 m-85 -108.49 90.36 7.1 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.658 0.742 . . . . 54.34 110.873 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -1.72 8.98 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.659 2.239 . . . . 74.12 112.342 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.784 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.6 19.88 52.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.793 -0.718 . . . . 71.33 112.498 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.827 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -147.6 163.02 37.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 73.4 111.128 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.811 HG12 ' HD3' ' A' ' 29' ' ' LYS . 4.3 m -97.66 -29.07 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 60.53 111.131 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.827 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 53.55 167.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.922 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 33' ' ' ILE . 1.2 tp 159.3 152.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.921 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.674 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -132.8 126.77 33.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 53.32 110.893 179.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 66' ' ' ASP . 0.8 OUTLIER -123.71 -176.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 73.22 111.115 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.806 ' O ' HD23 ' A' ' 70' ' ' LEU . 4.4 t0 -126.61 124.39 39.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 72.13 110.868 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 36' ' ' THR . 14.7 m -84.2 31.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 75.22 111.133 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -123.15 -15.78 7.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 72.32 110.862 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -120.51 -34.8 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.5 pt? -127.58 23.96 6.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.931 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.75 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.932 179.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.7 pt-20 -36.54 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 74.11 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 71' ' ' LYS . 46.8 t -81.15 -43.83 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 43.14 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.68 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -70.52 -27.65 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 43.25 111.06 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.51 -24.85 62.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 72.44 110.912 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -79.61 -32.99 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.923 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.587 ' CZ ' ' CD1' ' A' ' 88' ' ' ILE . 21.8 m-85 -92.83 -15.36 26.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 63.13 110.969 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 68.41 69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.876 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.759 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -98.52 -28.07 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 73.53 111.131 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.583 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.2 mm-40 87.31 -73.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 54.14 110.859 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 169.09 95.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.02 111.108 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.494 ' HG2' ' N ' ' A' ' 84' ' ' THR . 0.0 OUTLIER 175.84 166.28 0.41 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.557 0.694 . . . . 64.01 110.887 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 99' ' ' GLY . 53.7 Cg_endo -69.79 37.64 0.25 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.73 2.287 . . . . 51.45 112.361 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 84' ' ' THR . 0.6 OUTLIER -61.74 121.33 12.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 72.41 111.115 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -77.93 44.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 54.24 110.925 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.663 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -33.42 141.96 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 75.15 110.906 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 24.6 m-85 -119.8 151.11 39.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.816 HG12 HD11 ' A' ' 33' ' ' ILE . 5.3 mm -137.76 77.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 74.41 111.13 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.734 ' HB2' HG22 ' A' ' 30' ' ' VAL . 5.0 ttpt -77.38 121.76 24.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 63.11 110.909 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 3.1 t70 83.08 -16.92 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 63.1 110.891 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.95 41.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 63.13 112.482 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' C ' HG23 ' A' ' 88' ' ' ILE . . . -143.15 -86.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 54.24 111.085 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -178.5 106.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 72.2 110.911 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.689 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.21 -31.74 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.23 111.088 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.537 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.6 m-20 157.51 -178.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 70.21 110.894 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.512 ' HB2' HG23 ' A' ' 84' ' ' THR . 0.0 OUTLIER -134.51 172.54 12.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 51.33 110.891 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.821 HG12 ' N ' ' A' ' 98' ' ' VAL . 37.7 t -142.36 -96.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 73.24 111.143 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.821 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 163.19 143.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.115 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -93.28 48.73 2.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 72.14 112.479 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -155.97 15.59 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.724 0.297 . . . . 75.44 111.077 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD2' ' C ' ' A' ' 100' ' ' ALA . 1.7 mpt_? -127.57 115.78 19.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.514 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -89.79 11.69 19.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 75.01 110.871 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.12 -1.81 4.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 63.53 110.885 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -115.12 -34.48 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 63.22 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.704 HD12 ' CD1' ' A' ' 109' ' ' ILE . 12.7 tp -60.05 -72.53 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 70.23 110.943 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.854 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -52.53 -18.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.912 179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.744 ' O ' HG22 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -78.06 -34.19 50.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 63.23 110.862 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.576 HG23 ' CD2' ' A' ' 112' ' ' HIS . 1.8 m -82.54 -37.15 25.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.51 111.096 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.704 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -63.71 -23.4 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 62.23 111.17 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 106' ' ' GLN . 24.3 m -82.06 -26.66 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 65.13 111.106 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -83.77 -28.92 27.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.889 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.64 ' HB3' HG21 ' A' ' 30' ' ' VAL . 19.7 m-70 -100.66 -47.12 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 73.04 110.882 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.784 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.3 t -94.56 -30.94 4.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 73.2 111.133 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -76.94 -19.03 78.15 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 71.52 112.538 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 50.24 18.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 34.31 111.089 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.52 -34.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 64.2 111.171 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.83 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 54.88 175.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.23 111.081 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -110.51 -52.02 2.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 60.14 111.079 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.1 m -149.58 167.04 27.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 70.41 110.866 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -148.53 39.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.22 111.088 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.1 t -48.88 -46.38 42.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 70.04 110.836 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.135 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.78 0.324 . . . . 71.2 110.9 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' O ' ' CD ' ' A' ' 5' ' ' GLU . . . -162.98 -33.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 53.52 111.09 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.29 37.67 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 70.24 111.077 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' HG3' HD12 ' A' ' 9' ' ' ILE . 12.1 tt0 61.42 86.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 73.54 110.907 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 2.3 mm-40 -85.52 -160.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.887 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -82.89 28.09 3.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 74.15 112.497 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.1 m -107.45 176.52 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.86 0.362 . . . . 74.44 111.118 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.872 HG22 ' HA ' ' A' ' 51' ' ' ALA . 34.5 m -48.2 94.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 72.13 111.142 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.621 HG22 ' N ' ' A' ' 10' ' ' ALA . 17.9 mm -42.58 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.05 111.129 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.715 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -146.76 77.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 61.12 111.134 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.494 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 19.7 p -71.49 -173.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 55.13 110.913 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.502 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 2.5 p-80 -179.84 29.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 75.55 110.887 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.539 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.97 19.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.867 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.606 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER 68.46 -66.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.91 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.526 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -27.39 -42.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 65.43 110.862 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -81.84 -44.71 16.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.889 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -49.09 -43.24 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.879 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.523 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -66.41 -33.61 76.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 50.42 110.877 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' GLU . . . -52.34 -28.18 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 -53.01 4.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.01 110.943 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.697 ' HE1' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -47.28 -34.35 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.849 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.423 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -83.72 -24.72 31.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 64.11 111.13 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -82.18 26.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.903 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.418 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.64 -51.24 1.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 62.34 111.081 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -47.11 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.88 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.7 -41.9 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 74.21 110.89 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.589 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -67.15 -28.17 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 73.11 111.132 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.56 31.06 11.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 55.43 112.475 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HD3' HG13 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -124.17 170.07 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 72.54 110.912 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -84.14 160.65 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.04 111.1 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.55 ' N ' HG13 ' A' ' 30' ' ' VAL . 49.0 t -112.11 145.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.182 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.879 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.5 mp -141.73 98.78 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 65.33 111.174 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.828 HG23 HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -100.28 128.63 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.21 111.104 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.6 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -104.24 92.07 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 54.21 110.899 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.73 ' CD2' HG11 ' A' ' 79' ' ' VAL . 37.0 m-85 -62.91 -165.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 70.35 110.876 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.609 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.5 OUTLIER 159.73 121.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 43.11 111.184 -179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.812 ' HB2' ' CG2' ' A' ' 67' ' ' VAL . . . -111.5 -74.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 25.33 111.078 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.469 ' C ' ' HE3' ' A' ' 39' ' ' TRP . 24.9 p -150.83 -38.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 74.34 110.826 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.474 ' N ' ' HE3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -77.43 37.72 0.22 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.908 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 6.1 p -70.76 157.48 37.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.279 -0.419 . . . . 65.51 110.852 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.24 -119.85 0.38 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.722 -0.752 . . . . 72.32 112.482 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' O ' ' CB ' ' A' ' 43' ' ' CYS . 53.3 Cg_endo -69.83 -61.51 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 54.33 112.357 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.457 ' CB ' ' O ' ' A' ' 42' ' ' PRO . 0.9 OUTLIER 80.56 -24.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.889 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.82 -35.2 4.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.911 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.409 ' HB3' ' CB ' ' A' ' 42' ' ' PRO . 41.8 t80 -65.12 -46.17 82.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.15 110.856 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.763 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 4.9 tt -97.39 6.25 8.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.35 111.084 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -54.21 -55.08 40.59 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.601 0.715 . . . . 52.03 111.119 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.77 -1.47 8.53 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 70.01 112.338 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.67 HG13 ' CE2' ' A' ' 53' ' ' TYR . 2.8 t -93.5 -43.28 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 52.41 111.096 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.763 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 15.3 m-30 -67.2 -70.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -45.41 -48.58 13.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 32.12 111.106 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 48' ' ' PRO . 8.0 pt-20 -61.19 -35.3 76.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.859 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.67 ' CE2' HG13 ' A' ' 49' ' ' VAL . 9.1 m-30 -69.56 -44.88 69.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 72.12 110.894 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.825 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -42.33 -44.83 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 71.51 111.113 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 14.2 mtpp -76.97 -41.55 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 71.3 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -56.99 -24.36 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 72.54 110.875 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' CE1' HG22 ' A' ' 109' ' ' ILE . 18.5 m-85 -117.08 88.99 28.83 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.682 0.753 . . . . 74.1 110.875 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -10.87 29.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.693 2.262 . . . . 72.42 112.347 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.815 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -86.31 21.77 15.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 65.12 112.516 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.901 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -150.16 167.63 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 72.34 111.04 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG13 ' HD3' ' A' ' 29' ' ' LYS . 6.2 m -100.06 -36.49 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.118 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.901 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 90.8 m-85 57.55 153.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.869 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.828 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 168.73 148.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.946 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.715 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.88 132.35 54.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 72.52 110.911 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG2' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -128.52 158.63 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.04 111.133 179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.682 ' O ' HD23 ' A' ' 70' ' ' LEU . 15.9 t0 -105.41 123.91 48.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.25 110.884 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.812 ' CG2' ' HB2' ' A' ' 37' ' ' ALA . 15.3 m -82.87 35.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 73.11 111.15 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -125.95 -21.7 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.45 110.882 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 1.5 pt-20 -113.73 -36.13 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.22 110.887 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.2 pt? -126.59 22.94 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.924 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -32.29 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 72.51 110.893 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pt-20 -35.5 -29.2 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 44.33 110.908 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 81.0 t -79.29 -46.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 71.4 111.103 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.694 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -68.0 -24.33 65.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 64.25 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.39 -24.3 60.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.884 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.543 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -81.42 -33.62 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 64.03 110.86 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.543 ' CE1' ' HE2' ' A' ' 76' ' ' LYS . 22.8 m-85 -91.9 -14.72 29.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.262 -0.426 . . . . 70.42 110.946 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 12.0 t-20 68.94 71.72 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 64.13 110.885 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.73 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.8 OUTLIER -104.05 -25.92 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 72.01 111.128 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 2.2 mm-40 86.78 -71.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.907 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.732 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . 169.82 59.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 72.12 111.079 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.546 ' HE3' ' CB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -142.66 167.85 15.03 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.701 . . . . 60.31 110.858 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.75 22.26 0.17 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.665 2.243 . . . . 53.32 112.368 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -43.53 127.71 4.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 75.23 111.077 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.719 ' CD1' HG22 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -88.7 45.51 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.918 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -31.26 146.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 71.2 110.919 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.646 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 33.2 m-85 -126.0 139.95 53.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 61.01 110.885 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.53 ' CG1' HD11 ' A' ' 33' ' ' ILE . 7.3 mm -127.71 76.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 73.43 111.143 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.628 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.5 ttmt -79.33 121.89 25.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 73.4 110.897 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 2.8 t70 84.12 -13.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.43 110.858 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 103.34 45.37 1.57 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 73.23 112.491 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -147.98 -87.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 65.45 111.107 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -177.52 102.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 70.23 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -85.03 -34.62 22.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 63.32 111.065 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 87' ' ' PHE . 1.5 m-20 159.62 -177.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 73.35 110.855 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.05 171.9 13.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 70.22 110.873 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.812 HG12 ' N ' ' A' ' 98' ' ' VAL . 42.1 t -141.7 -97.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.111 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.812 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 164.12 131.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 42.2 111.1 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.59 46.17 2.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 63.51 112.435 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.515 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -159.43 18.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 60.15 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.504 ' HD3' HG11 ' A' ' 98' ' ' VAL . 1.2 mpt_? -123.87 100.94 7.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 73.24 110.881 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 7.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.904 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.409 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 0.2 OUTLIER -129.17 -5.44 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.0 110.887 179.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB3' ' A' ' 101' ' ' ARG . 1.9 t0 -112.85 -19.0 12.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 52.53 110.835 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.725 HD22 ' CE1' ' A' ' 50' ' ' PHE . 33.3 tp -80.67 -72.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 72.53 110.901 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.734 ' NE2' ' H ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -50.84 -16.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 73.15 110.918 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.733 ' O ' HG22 ' A' ' 110' ' ' VAL . 7.3 t30 -85.26 -30.14 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.866 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.44 ' CG2' ' CD2' ' A' ' 112' ' ' HIS . 11.0 m -83.08 -40.41 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.106 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.576 HG22 ' CE1' ' A' ' 57' ' ' PHE . 2.0 mp -61.27 -24.69 34.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 75.04 111.196 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 107' ' ' ASN . 34.3 m -78.6 -29.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 73.04 111.106 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.532 ' CB ' ' HB2' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -81.58 -27.74 34.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.907 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.801 ' HB3' HG21 ' A' ' 30' ' ' VAL . 21.1 m-70 -101.35 -46.71 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.02 110.829 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.5 t -95.97 -29.5 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.44 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.2 -12.18 83.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 41.5 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.74 ' O ' HG23 ' A' ' 116' ' ' THR . . . 46.15 20.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.371 . . . . 72.22 111.105 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 115' ' ' ALA . 18.3 p -165.19 53.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.176 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.649 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . -32.2 -54.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 51.43 111.1 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.33 85.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 72.04 111.068 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.4 t -171.96 145.23 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 34.15 110.836 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -93.7 137.27 33.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 54.42 111.153 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.08 108.09 19.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 71.04 110.877 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.22 111.098 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.737 0.303 . . . . 72.12 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.457 ' HB1' ' CG ' ' A' ' 5' ' ' GLU . . . -104.45 -108.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 73.02 111.05 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 56.66 11.56 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 62.31 111.114 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -178.92 55.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 71.43 110.844 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' HB1' ' A' ' 2' ' ' ALA . 1.5 mm-40 -93.34 -147.38 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.898 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.5 19.73 5.67 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 73.1 112.482 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.927 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.2 m -103.19 177.04 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.361 . . . . 43.52 111.16 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.849 HG22 ' HA ' ' A' ' 51' ' ' ALA . 29.3 m -53.06 95.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 70.35 111.089 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.633 HG22 ' N ' ' A' ' 10' ' ' ALA . 23.8 mm -44.27 168.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 55.13 111.118 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -143.57 81.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.02 111.068 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -51.0 -179.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.91 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' C ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER 178.98 28.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.853 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' ASP . 2.6 p-10 174.56 27.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.52 110.9 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.6 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.7 OUTLIER 63.94 -70.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.895 179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -29.84 -40.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 64.51 110.844 179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' LYS . 1.6 mt-10 -79.46 -42.21 25.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.916 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.583 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.27 -39.17 69.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 75.1 110.927 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -69.09 -32.51 71.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.89 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.19 -16.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 52.13 111.122 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -106.22 -52.64 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 64.5 110.895 -179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -47.44 -24.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 74.53 110.867 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -91.63 -25.06 19.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 71.54 111.125 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -83.55 27.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.2 110.875 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.61 ' CB ' ' CG2' ' A' ' 31' ' ' VAL . . . -127.31 -44.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.11 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -40.05 80.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 64.12 110.898 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' CG ' ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -86.1 -43.28 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.897 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.06 71.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 63.14 111.127 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.46 35.8 7.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 65.34 112.507 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HD2' HG12 ' A' ' 61' ' ' VAL . 7.7 ptpt -134.15 155.44 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.792 0.33 . . . . 72.03 110.958 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.0 OUTLIER -67.59 163.49 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 63.43 111.108 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.61 ' CG2' ' CB ' ' A' ' 24' ' ' ALA . 50.8 t -114.47 144.83 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.22 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.891 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 3.6 mp -142.01 97.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.54 111.096 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.879 HG23 HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -99.28 125.4 52.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 53.52 111.156 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.609 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -103.02 96.71 6.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.892 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.653 ' CD2' HG11 ' A' ' 79' ' ' VAL . 50.4 m-85 -61.3 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 62.41 110.89 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.639 HG22 ' C ' ' A' ' 35' ' ' PHE . 0.4 OUTLIER 158.44 123.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 41.5 111.119 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.73 -55.9 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 64.41 111.08 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.7 t -169.75 -35.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 70.33 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -81.89 -36.89 27.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.929 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 t 53.65 33.91 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.4 110.864 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.53 -122.86 30.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 43.02 112.481 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 44' ' ' ARG . 54.2 Cg_endo -69.69 -45.03 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.71 2.273 . . . . 74.33 112.34 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.3 t 42.02 25.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.842 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 42' ' ' PRO . 1.3 mtt-85 -156.61 -37.32 0.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.04 110.872 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -79.53 -40.84 28.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.839 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 3.8 tt -105.04 9.73 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 71.21 111.094 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB3' ' HD3' ' A' ' 48' ' ' PRO . . . -56.7 -54.89 48.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.544 0.688 . . . . 42.53 111.095 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.8 4.25 2.32 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.279 . . . . 70.11 112.325 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.656 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 4.2 t -98.74 -48.6 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 71.2 111.111 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.767 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 13.9 m-30 -63.33 -72.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 72.34 110.849 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.849 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -44.9 -48.23 11.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 62.11 111.112 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.8 pt-20 -64.29 -31.49 72.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 61.3 110.86 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.656 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.6 m-30 -70.64 -46.32 63.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.887 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.824 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -41.24 -44.36 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 70.45 111.118 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.927 ' HD2' HG12 ' A' ' 7' ' ' VAL . 15.8 mtpp -76.78 -41.29 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 65.4 110.935 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 11.2 mtmt -55.65 -28.29 54.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 70.41 110.873 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' A' ' 109' ' ' ILE . 16.3 m-85 -114.48 89.19 17.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 75.44 110.881 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -6.15 17.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 71.43 112.337 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.789 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -90.01 19.68 40.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 71.34 112.505 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.908 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -149.88 162.67 39.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 74.32 111.077 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.508 HG12 ' HD2' ' A' ' 29' ' ' LYS . 27.2 m -94.78 -33.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 53.04 111.149 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.908 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 83.5 m-85 56.25 160.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.919 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.879 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 161.03 150.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 65.21 110.917 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -118.36 131.85 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 73.42 110.924 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.837 HG12 HG22 ' A' ' 33' ' ' ILE . 2.5 p -119.19 149.76 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 64.41 111.154 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.807 ' O ' HD23 ' A' ' 70' ' ' LEU . 9.9 t0 -101.87 120.47 40.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 71.54 110.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.955 HG12 ' HB2' ' A' ' 74' ' ' ALA . 15.7 m -88.13 37.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 40.41 111.134 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -131.01 -24.19 2.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 54.31 110.819 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.739 ' OE2' HD22 ' A' ' 70' ' ' LEU . 2.0 pp20? -114.15 -35.05 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.909 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.807 HD23 ' O ' ' A' ' 66' ' ' ASP . 1.4 pt? -125.63 26.59 6.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 71.31 110.943 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -31.67 -30.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.906 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.7 pt-20 -38.58 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.856 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.538 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 19.0 t -86.96 -36.69 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.11 111.101 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.955 ' HB2' HG12 ' A' ' 67' ' ' VAL . . . -74.07 -11.4 60.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 72.43 111.096 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.56 -20.41 21.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.883 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -81.14 -27.88 35.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.857 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.722 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 22.0 m-30 -99.44 -14.79 18.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.921 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' HB3' ' O ' ' A' ' 77' ' ' TYR . 5.9 t-20 66.66 68.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 62.21 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.653 HG11 ' CD2' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -91.26 -85.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 74.14 111.116 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.71 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 0.5 OUTLIER 154.24 -59.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.911 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 157.59 45.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.25 111.12 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.561 ' CB ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER -139.91 173.3 5.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 75.22 110.882 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.561 ' HD2' ' CB ' ' A' ' 82' ' ' MET . 53.7 Cg_endo -69.74 19.44 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.248 . . . . 72.51 112.377 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.616 HG23 ' HB3' ' A' ' 96' ' ' LYS . 1.0 OUTLIER -37.23 123.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.12 111.149 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.644 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -86.75 64.22 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 61.45 110.887 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.808 HD22 ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -51.64 145.57 8.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 52.52 110.867 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.644 ' CD1' ' O ' ' A' ' 85' ' ' PHE . 42.6 m-85 -123.51 135.48 54.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.856 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.722 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 7.1 mm -121.74 76.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 74.14 111.132 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.953 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 2.2 ttpt -77.86 121.44 24.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.908 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 8.1 t0 84.62 -17.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 53.24 110.816 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.26 44.52 1.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.804 -0.713 . . . . 40.23 112.484 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -150.34 -86.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.733 0.301 . . . . 73.22 111.087 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -174.23 106.93 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.889 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.953 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -89.27 -30.51 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 41.4 111.134 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 94' ' ' ALA . 1.4 m-20 156.82 -178.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 64.31 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.808 ' HG2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -129.11 -170.43 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.41 110.914 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.819 HG12 ' N ' ' A' ' 98' ' ' VAL . 41.5 t -162.48 -98.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 74.23 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.819 ' N ' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER 157.74 125.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.139 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.22 48.1 2.41 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.716 -0.754 . . . . 71.4 112.498 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.416 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -152.23 13.97 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 74.01 111.119 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -127.51 113.96 16.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 62.41 110.827 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' NE2' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -84.19 4.53 30.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 64.11 110.864 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.45 ' C ' ' OE1' ' A' ' 106' ' ' GLN . 18.0 t70 -123.09 -7.52 8.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 55.33 110.83 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.77 -23.47 12.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 70.41 110.869 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 109' ' ' ILE . 23.7 tp -74.35 -77.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.9 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.88 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -46.21 -24.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.939 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 110' ' ' VAL . 1.5 m-80 -75.2 -36.34 61.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 54.22 110.915 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.633 HG21 ' CE1' ' A' ' 87' ' ' PHE . 11.5 m -79.11 -37.52 38.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 74.41 111.196 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.569 ' CD1' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -65.22 -26.03 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 72.03 111.11 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 106' ' ' GLN . 33.0 m -79.03 -28.63 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.219 -0.446 . . . . 54.21 111.097 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.452 ' CG ' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -81.6 -26.17 35.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.842 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.891 ' HB3' HG21 ' A' ' 30' ' ' VAL . 25.3 m-70 -103.59 -47.8 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 75.3 110.895 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.789 HG13 ' O ' ' A' ' 59' ' ' GLY . 3.8 t -94.12 -30.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.146 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.4 -11.0 85.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 74.41 112.47 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 116' ' ' THR . . . 38.56 34.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.82 0.343 . . . . 64.11 111.072 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 115' ' ' ALA . 18.0 p -157.34 -36.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.22 111.134 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.677 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 64.78 -75.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 60.43 111.115 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 117' ' ' ALA . . . 73.79 82.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 64.24 111.12 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.3 p -179.88 146.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 62.11 110.892 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -126.43 58.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.113 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.1 m 52.04 -92.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.8 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 62.0 111.086 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 2' ' ' ALA . 4.9 mmt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.801 0.334 . . . . 61.32 110.852 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' MET . . . 58.17 118.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 51.11 111.137 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.51 6.47 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 51.2 111.137 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' HD12 ' A' ' 9' ' ' ILE . 1.6 tt0 -179.36 57.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.875 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.25 -147.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.871 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.73 22.14 5.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 54.22 112.491 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.953 HG12 ' HD2' ' A' ' 55' ' ' LYS . 1.0 OUTLIER -108.77 176.56 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 74.25 111.138 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 51' ' ' ALA . 33.9 m -50.56 96.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.35 111.135 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 10' ' ' ALA . 32.8 mm -42.2 166.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.76 ' HB2' ' HE3' ' A' ' 64' ' ' LYS . . . -145.98 75.15 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 63.12 111.068 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.481 ' CB ' ' HB2' ' A' ' 16' ' ' GLU . 17.0 p -75.65 -168.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 73.03 110.863 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CB ' ' OE2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER 175.09 30.37 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 55.31 110.839 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -165.88 21.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 51.12 110.866 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.623 ' H ' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER 67.24 -68.87 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.89 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.8 OUTLIER -24.76 -46.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 71.25 110.899 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -80.62 -44.22 19.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 72.35 110.879 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.645 ' CD1' ' N ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -50.56 -41.99 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.88 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.645 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -64.74 -37.69 88.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 62.21 110.882 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.82 -22.0 1.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 63.4 111.137 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -100.69 -51.3 3.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 71.51 110.897 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.51 ' HE2' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.4 -17.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.865 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -101.55 -20.87 14.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.182 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -82.79 20.5 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.925 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' O ' ' A' ' 29' ' ' LYS . . . -122.46 -41.11 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.52 111.096 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 22' ' ' THR . 0.4 OUTLIER -68.01 -47.15 69.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 65.42 110.873 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -43.59 63.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 72.22 110.901 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HD2' ' A' ' 29' ' ' LYS . . . -70.67 -26.42 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.35 111.072 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.89 30.73 22.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 42.44 112.517 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.84 ' O ' ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -122.04 148.91 44.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 70.22 110.929 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 112' ' ' HIS . 1.2 t -64.36 162.13 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 62.02 111.117 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.588 ' N ' HG13 ' A' ' 30' ' ' VAL . 39.8 t -114.82 152.61 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 72.03 111.16 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.86 ' CD1' ' HB1' ' A' ' 60' ' ' ALA . 4.5 mp -144.69 94.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.33 111.132 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.006 HG23 HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -92.68 121.02 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.14 111.094 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.66 ' CG ' ' CE1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER -100.78 92.64 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.852 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.716 ' O ' HG22 ' A' ' 36' ' ' THR . 54.2 m-85 -65.74 -165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.716 HG22 ' O ' ' A' ' 35' ' ' PHE . 1.7 t 147.15 130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.168 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.847 ' HB3' ' CG2' ' A' ' 67' ' ' VAL . . . 164.33 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 62.23 111.089 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.616 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 3.2 t -32.11 -37.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 70.05 110.818 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.616 ' CD1' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -163.56 -31.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.908 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 39' ' ' TRP . 18.1 p 178.26 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 64.42 110.899 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' N ' ' SG ' ' A' ' 40' ' ' CYS . . . -178.0 140.57 4.73 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 61.14 112.48 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 44' ' ' ARG . 54.1 Cg_endo -69.72 -53.41 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.756 2.304 . . . . 73.31 112.343 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.691 ' C ' ' HB2' ' A' ' 47' ' ' ALA . 1.8 t 32.32 35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.854 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 42' ' ' PRO . 2.8 mtt180 -131.08 -50.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 74.44 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -76.18 -45.78 31.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 74.03 110.835 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 50' ' ' PHE . 5.9 tt -104.33 9.01 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.45 111.118 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.691 ' HB2' ' C ' ' A' ' 43' ' ' CYS . . . -55.32 -55.34 40.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 63.51 111.066 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.671 ' HD3' ' HB3' ' A' ' 47' ' ' ALA . 54.2 Cg_endo -69.71 4.5 2.13 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.718 2.279 . . . . 73.45 112.365 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.635 HG13 ' CZ ' ' A' ' 53' ' ' TYR . 6.6 t -100.48 -48.14 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 53.53 111.107 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 12.8 m-30 -61.71 -71.54 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 54.14 110.822 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.836 ' HA ' HG22 ' A' ' 8' ' ' VAL . . . -47.21 -51.06 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.42 111.072 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 48' ' ' PRO . 3.7 pt-20 -59.69 -30.77 69.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.929 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.635 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.1 m-30 -73.54 -47.45 40.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 74.54 110.933 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB2' ' CG1' ' A' ' 8' ' ' VAL . . . -40.49 -42.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 55.13 111.103 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.953 ' HD2' HG12 ' A' ' 7' ' ' VAL . 12.8 mtpp -77.77 -39.95 42.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 73.13 110.929 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 7.2 mtmt -55.4 -31.34 61.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 70.33 110.93 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.642 ' HZ ' HG12 ' A' ' 110' ' ' VAL . 16.4 m-85 -110.24 90.19 9.52 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 75.02 110.879 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -3.2 11.55 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.717 2.278 . . . . 65.55 112.348 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.805 ' O ' HG13 ' A' ' 113' ' ' VAL . . . -95.96 21.45 44.96 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.71 -0.757 . . . . 71.22 112.485 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.872 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . . . -146.74 163.79 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 44.3 111.122 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.756 HG12 ' HD3' ' A' ' 29' ' ' LYS . 15.0 m -96.85 -35.09 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 63.41 111.157 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.872 ' CE1' ' HB3' ' A' ' 60' ' ' ALA . 91.5 m-85 57.02 160.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 60.45 110.935 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.006 HD23 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER 164.17 149.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 72.5 110.902 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.76 ' HE3' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -122.18 133.64 54.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 70.55 110.856 179.832 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.738 HG23 HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -132.99 160.17 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 63.42 111.116 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' HG23 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -109.28 119.42 39.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.847 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 11.5 m -76.84 36.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.126 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.75 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . 33.7 t0 -128.08 -21.97 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.91 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.475 ' OE2' ' CB ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -109.84 -38.98 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.02 110.871 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.738 HD21 HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -127.65 21.71 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 73.41 110.899 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -30.85 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.847 179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 70' ' ' LEU . 8.2 pt-20 -34.7 -29.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 55.41 110.898 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' LYS . 63.1 t -78.34 -47.12 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.21 111.129 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.673 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . . . -62.35 -32.14 72.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 70.41 111.089 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -68.55 -26.28 65.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.34 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.566 ' HE2' ' CE1' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -75.97 -29.6 58.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.91 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.612 ' CZ ' HD11 ' A' ' 88' ' ' ILE . 21.3 m-85 -95.83 -24.33 16.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.45 110.912 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 77' ' ' TYR . 6.4 t-20 80.93 64.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 71.14 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 35' ' ' PHE . 1.0 OUTLIER -92.95 -23.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 54.44 111.099 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 81' ' ' ALA . 1.0 OUTLIER 85.88 -71.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 74.22 110.912 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 80' ' ' GLU . . . 167.69 94.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.22 111.059 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.533 ' CE ' ' O ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 170.85 171.0 0.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.569 0.699 . . . . 64.1 110.916 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' A' ' 99' ' ' GLY . 54.4 Cg_endo -69.75 37.67 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.67 2.247 . . . . 62.01 112.343 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.6 HG23 ' HB2' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -55.63 129.56 39.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 74.34 111.124 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.702 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 0.1 OUTLIER -86.13 41.51 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.881 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.871 HD22 ' HB3' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -33.97 146.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 71.2 110.914 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.694 ' H ' HD13 ' A' ' 86' ' ' LEU . 29.9 m-85 -123.61 156.53 35.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.889 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.843 HG12 HD11 ' A' ' 33' ' ' ILE . 4.0 mm -142.25 80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 73.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.707 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 3.6 ttpt -81.28 120.36 24.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 63.33 110.933 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 89' ' ' LYS . 6.1 t0 82.88 -9.92 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 64.12 110.832 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.9 43.26 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 30.34 112.459 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 88' ' ' ILE . . . -143.54 -90.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.76 0.315 . . . . 33.5 111.09 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HG3' HD11 ' A' ' 86' ' ' LEU . 20.2 tt0 -174.66 99.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.876 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 89' ' ' LYS . . . -79.96 -35.79 37.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 74.31 111.061 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.505 ' O ' ' N ' ' A' ' 87' ' ' PHE . 4.3 m-20 161.26 -178.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 72.11 110.851 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.871 ' HB3' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -134.35 171.82 13.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.908 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.907 ' O ' HG23 ' A' ' 98' ' ' VAL . 65.0 t -144.39 -101.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 45.04 111.118 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 97' ' ' VAL . 1.2 t 169.22 139.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.179 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 83' ' ' PRO . . . -87.45 42.84 3.15 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 60.03 112.468 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.68 ' H ' HG12 ' A' ' 98' ' ' VAL . . . -150.38 12.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.308 . . . . 73.22 111.108 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.445 ' HD2' HG11 ' A' ' 98' ' ' VAL . 0.2 OUTLIER -122.18 116.89 24.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.887 -179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -92.86 13.77 19.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 71.15 110.934 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.95 -3.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 73.31 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.22 -30.92 6.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.871 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.702 ' CD1' ' CE2' ' A' ' 85' ' ' PHE . 10.0 tp -61.64 -72.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 60.11 110.947 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.771 ' O ' HG13 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -48.73 -34.91 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 42.43 110.913 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 110' ' ' VAL . 6.2 t30 -66.02 -29.34 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.55 110.865 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.587 HG21 ' CE1' ' A' ' 87' ' ' PHE . 16.4 m -84.23 -44.49 13.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 71.53 111.147 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 57' ' ' PHE . 2.1 mp -58.6 -25.89 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.058 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 106' ' ' GLN . 30.4 m -79.28 -29.09 13.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 73.51 111.159 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 117' ' ' ALA . 2.0 ptmt -81.25 -27.68 35.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 51.25 110.867 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.624 ' HB3' HG21 ' A' ' 30' ' ' VAL . 23.1 m-70 -101.73 -47.46 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 70.12 110.852 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.805 HG13 ' O ' ' A' ' 59' ' ' GLY . 2.7 t -94.7 -30.18 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 73.34 111.129 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.03 -10.15 86.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 42.5 112.48 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 38.22 41.88 0.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.861 0.362 . . . . 73.32 111.097 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 89.9 m -162.42 -34.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 61.44 111.131 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.734 ' HA ' HG23 ' A' ' 110' ' ' VAL . . . 52.43 175.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 62.12 111.116 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -129.77 -51.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.44 111.094 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.4 t -149.84 163.26 38.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 51.42 110.909 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.19 139.83 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.124 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.53 88.42 1.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 64.52 110.901 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 75.01 111.06 179.907 . . . . . . . . 0 0 . 1 stop_ save_